Chemical ID: 4508038

c1c(c(cc(c1S(=O)(=O)NC2CCCCC2)Cl)Cl)C(=O)O
Chemical ID:
4508038
Name [?]:
2,4-dichloro-5-(cyclohexylsulfamoyl)benzoic acid
SMILES [?]:
c1c(c(cc(c1S(=O)(=O)NC2CCCCC2)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C13H15Cl2NO4S/c14-10-7-11(15)12(6-9(10)13(17)18)21(19,20)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,4,11,2,3,5,6,19,18,17,10,20,21,8,9,7/E:(2,3)(4,5)(17,18)(19,20)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCClClCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s5;s3;s2;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15Cl2NO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.33582
Area:496.785
Solvation:-3.08381
Coulombic:-38.7177
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.234
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.56
LogP (Chemaxon):3.06

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