Chemical ID: 3998128

CN(C1CCCCC1)S(=O)(=O)c2ccc(c(c2)C(=O)O)Cl
Chemical ID:
3998128
Name [?]:
2-chloro-5-(cyclohexyl-methyl-sulfamoyl)-benzoic acid
SMILES [?]:
CN(C1CCCCC1)S(=O)(=O)c2ccc(c(c2)C(=O)O)Cl
InChi [?]:
InChI=1/C14H18ClNO4S/c1-16(10-5-3-2-4-6-10)21(19,20)11-7-8-13(15)12(9-11)14(17)18/h7-10H,2-6H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,13,14,17,3,12,16,15,18,21,2,19,20,10,11,9/E:(3,4)(5,6)(17,18)(19,20)/CRV:21.6/rA:21cCNCCCCCCSOOCCCCCCCOOCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClNO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.43484
Area:493.932
Solvation:-2.91346
Coulombic:-34.7714
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.816
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.18
LogP (Chemaxon):2.79

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