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Chemical ID: 7317364
Chemical ID:
7317364
Name [?]:
2-chloro-N-(2-fluorophenyl)-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)NS(=O)(=O)c2ccccc2Cl)F
InChi [?]:
InChI=1/C12H9ClFNO2S/c13-9-5-1-4-8-12(9)18(16,17)15-11-7-3-2-6-10(11)14/h1-8,15H
InChi Info:
AuxInfo=1/0/N:14,2,1,13,15,3,6,12,16,4,5,11,17,18,7,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCNSOOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClFNO2S |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52757 |
Area: | 410.688 |
Solvation: | -2.73964 |
Coulombic: | -17.7551 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.723 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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