Chemical ID: 4962274

c1cc(ccc1C(=O)O)S(=O)(=O)NC2CCCCC2
Chemical ID:
4962274
Name [?]:
4-(cyclohexylsulfamoyl)benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)S(=O)(=O)NC2CCCCC2
InChi [?]:
InChI=1/C13H17NO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,5,2,4,6,14,3,7,13,8,9,11,12,10/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCCOOSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.89426
Area:459.76
Solvation:-2.59973
Coulombic:-40.463
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.344
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):2.03

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Descriptor Annotations

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