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Chemical ID: 4039595
Chemical ID:
4039595
Name [?]:
N-(3-bromo-4-methyl-phenyl)-2,4-difluoro-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Br)NS(=O)(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C13H10BrF2NO2S/c1-8-2-4-10(7-11(8)14)17-20(18,19)13-5-3-9(15)6-12(13)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,4,14,17,6,2,16,5,7,18,13,8,20,19,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCBrNSOOCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10BrF2NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65661 |
Area: | 448.56 |
Solvation: | -3.55738 |
Coulombic: | -18.6077 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 362.191 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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