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Chemical ID: 4080639
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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