Cas no 63400-14-6 (Benzenesulfonamide, 4-(2-propynyloxy)-)
63400-14-6 structure
Product Name:Benzenesulfonamide, 4-(2-propynyloxy)-
CAS No:63400-14-6
MF:C9H9NO3S
MW:211.237661123276
CID:1651413
PubChem ID:82911195
Update Time:2025-04-21
Benzenesulfonamide, 4-(2-propynyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-(2-propynyloxy)-
- BDBM50066131
- 4-(2-Propyn-1-yloxy)benzenesulfonamide
- AKOS021230372
- SCHEMBL16491167
- 63400-14-6
- DB-411437
- CHEMBL3402961
-
- Inchi： 1S/C9H9NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
- InChI Key： BWZTYHANPJYDDW-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)OCC#C)(N)(=O)=O
Computed Properties
- Exact Mass: 211.03037
- Monoisotopic Mass: 211.03031432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 314
- 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: 0.6
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 69.39
Benzenesulfonamide, 4-(2-propynyloxy)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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