Home Other Building Blocks 3-[(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

3-[(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

CAS No.:
603118-17-8
Catalog Number:
AG019O0B
Molecular Formula:
C12H11NO4S2
Molecular Weight:
297.3500
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Product Description
Catalog Number:
AG019O0B
Chemical Name:
3-[(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CAS Number:
603118-17-8
Molecular Formula:
C12H11NO4S2
Molecular Weight:
297.3500
MDL Number:
MFCD04201334
IUPAC Name:
3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C12H11NO4S2/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChI Key:
YWQWSEFRORVSOA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCc1cccs1
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.013g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.343g/mol
Monoisotopic Mass:
297.013g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties