Chemical ID: 4080639

c1cc(cc(c1)Cl)NS(=O)(=O)c2ccc(cc2Cl)F
Chemical ID:
4080639
Name [?]:
2-chloro-N-(3-chlorophenyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)Cl)NS(=O)(=O)c2ccc(cc2Cl)F
InChi [?]:
InChI=1/C12H8Cl2FNO2S/c13-8-2-1-3-10(6-8)16-19(17,18)12-5-4-9(15)7-11(12)14/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,6,2,14,13,4,16,5,15,3,17,12,7,18,19,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCClNSOOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Cl2FNO2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.37313
Area:446.69
Solvation:-2.79411
Coulombic:-16.3654
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.167
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):3.78

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Descriptor Annotations

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