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Chemical ID: 7356272
Chemical ID:
7356272
Name [?]:
4-bromo-2-chloro-N-(3-fluorophenyl)-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)F)NS(=O)(=O)c2ccc(cc2Cl)Br
InChi [?]:
InChI=1/C12H8BrClFNO2S/c13-8-4-5-12(11(14)6-8)19(17,18)16-10-3-1-2-9(15)7-10/h1-7,16H
InChi Info:
AuxInfo=1/0/N:1,6,2,14,13,16,4,15,5,3,17,12,19,18,7,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCFNSOOCCCCCCClBr/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: | C12H8BrClFNO2S |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42502 |
Area: | 444.148 |
Solvation: | -2.67867 |
Coulombic: | -16.5763 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 364.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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