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Chemical ID: 6507423
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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