Chemical ID: 5388097

CC1CCCC(C1C)NS(=O)(=O)c2cccc(c2)C(=O)O
Chemical ID:
5388097
Name [?]:
3-[(2,3-dimethylcyclohexyl)sulfamoyl]benzoic acid
SMILES [?]:
CC1CCCC(C1C)NS(=O)(=O)c2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C15H21NO4S/c1-10-5-3-8-14(11(10)2)16-21(19,20)13-7-4-6-12(9-13)15(17)18/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,4,15,3,16,14,5,18,2,7,17,13,6,19,9,20,21,11,12,10/E:(17,18)(19,20)/CRV:21.6/rA:21cCCCCCCCCNSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:9.42932
Area:481.319
Solvation:-2.60366
Coulombic:-40.9403
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.398
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):2.76

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Descriptor Annotations

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