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6955-49-3 | Benzoic acid,2-[[[4-(aminosulfonyl)phenyl]amino]carbonyl]-
CAS No: 6955-49-3 Catalog No: AG005KSR MDL No:MFCD00025388
Product Description
Catalog Number:
AG005KSR
Chemical Name:
Benzoic acid,2-[[[4-(aminosulfonyl)phenyl]amino]carbonyl]-
CAS Number:
6955-49-3
Molecular Formula:
C14H12N2O5S
Molecular Weight:
320.3205
MDL Number:
MFCD00025388
IUPAC Name:
2-[(4-sulfamoylphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C14H12N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)(H2,15,20,21)
InChI Key:
IYDVPRRWOHHTSF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)N
NSC Number:
66425
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.319g/mol
Monoisotopic Mass:
320.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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