Cas no 312299-26-6 (Benzenesulfonamide, 4-methoxy-N-(3,4,5-trimethoxyphenyl)-)
312299-26-6 structure
Product Name:Benzenesulfonamide, 4-methoxy-N-(3,4,5-trimethoxyphenyl)-
CAS No:312299-26-6
MF:C16H19NO6S
MW:353.390163660049
CID:1446065
Update Time:2024-08-24
Benzenesulfonamide, 4-methoxy-N-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide, 4-methoxy-N-(3,4,5-trimethoxyphenyl)-
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- Inchi： 1S/C16H19NO6S/c1-20-12-5-7-13(8-6-12)24(18,19)17-11-9-14(21-2)16(23-4)15(10-11)22-3/h5-10,17H,1-4H3
- InChI Key： BNPVQSZDHHYQOC-UHFFFAOYSA-N
- SMILES： C1(S(NC2=CC(OC)=C(OC)C(OC)=C2)(=O)=O)=CC=C(OC)C=C1
Computed Properties
- Exact Mass: 353.09337
- Monoisotopic Mass: 353.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 457
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.287±0.06 g/cm3(Predicted)
- Boiling Point: 485.2±55.0 °C(Predicted)
- PSA: 83.09
- pka: 7.79±0.10(Predicted)
Benzenesulfonamide, 4-methoxy-N-(3,4,5-trimethoxyphenyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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