Chemical ID: 6507423

c1ccc(cc1)CS(=O)(=O)Nc2ccccc2C(=O)O
Chemical ID:
6507423
Name [?]:
2-benzylsulfonylaminobenzoic acid
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)Nc2ccccc2C(=O)O
InChi [?]:
InChI=1/C14H13NO4S/c16-14(17)12-8-4-5-9-13(12)15-20(18,19)10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,5,16,13,7,4,17,12,18,11,19,20,9,10,8/E:(2,3)(6,7)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.19979
Area:458.783
Solvation:-3.26978
Coulombic:-39.7337
Bond Count [?]
All:21
Single:12
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.323
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.97
LogP (Chemaxon):1.97

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