Chemical ID: 7371963

CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)O
Chemical ID:
7371963
Name [?]:
3-(4-isopropylphenyl)sulfonylaminobenzoic acid
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C16H17NO4S/c1-11(2)12-6-8-15(9-7-12)22(20,21)17-14-5-3-4-13(10-14)16(18)19/h3-11,17H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,5,9,6,8,19,2,4,18,14,7,20,13,21,22,11,12,10/E:(1,2)(6,7)(8,9)(18,19)(20,21)/CRV:22.6/rA:22nCCCCCCCCCSOONCCCCCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4S
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.84158
Area:498.303
Solvation:-2.616
Coulombic:-41.3454
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.377
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.32

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