Cas no 3585-45-3 (Benzoic acid,4-chloro-3-[(ethylamino)sulfonyl]-)
3585-45-3 structure
Product Name:Benzoic acid,4-chloro-3-[(ethylamino)sulfonyl]-
CAS No:3585-45-3
MF:C9H10ClNO4S
MW:263.698000431061
CID:296020
PubChem ID:13145699
Update Time:2025-04-19
Benzoic acid,4-chloro-3-[(ethylamino)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-chloro-3-[(ethylamino)sulfonyl]-
- 4-Chloro-3-(ethylsulfamoyl)benzoic acid
- 4-Chloro-3-ethylaminosulfonylbenzoic acid
- Benzoicacid, 4-chloro-3-(ethylsulfamoyl)- (7CI,8CI)
- 3585-45-3
- AKOS000123370
- 4-CHLORO-3-[(ETHYLAMINO)SULFONYL]BENZOIC ACID
- DTXSID90521855
-
- Inchi: 1S/C9H10ClNO4S/c1-2-11-16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5,11H,2H2,1H3,(H,12,13)
- InChI Key: ULRSRNUETUKNPL-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C(=O)O)C=C1S(NCC)(=O)=O
Computed Properties
- Exact Mass: 263.002
- Monoisotopic Mass: 263.0019067g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 351
- 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
- XLogP3: 1.4
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 83.47
Benzoic acid,4-chloro-3-[(ethylamino)sulfonyl]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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