Home Aminos 4-[(ethylsulfamoyl)amino]benzoic acid

4-[(ethylsulfamoyl)amino]benzoic acid

CAS No.:
1597263-69-8
Catalog Number:
AG01AG0M
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
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Product Description
Catalog Number:
AG01AG0M
Chemical Name:
4-[(ethylsulfamoyl)amino]benzoic acid
CAS Number:
1597263-69-8
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD27920302
IUPAC Name:
4-(ethylsulfamoylamino)benzoic acid
InChI:
InChI=1S/C9H12N2O4S/c1-2-10-16(14,15)11-8-5-3-7(4-6-8)9(12)13/h3-6,10-11H,2H2,1H3,(H,12,13)
InChI Key:
ICJMITAEMTXFQP-UHFFFAOYSA-N
SMILES:
CCNS(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties