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Chemical ID: 6477157
Chemical ID:
6477157
Name [?]:
N-(3-bromophenyl)-2,4,6-trimethyl-benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)Nc2cccc(c2)Br)C
InChi [?]:
InChI=1/C15H16BrNO2S/c1-10-7-11(2)15(12(3)8-10)20(18,19)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,15,16,14,7,3,18,2,6,4,17,13,5,19,12,10,11,9/E:(2,3)(7,8)(11,12)(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73588 |
Area: | 456.974 |
Solvation: | -1.68848 |
Coulombic: | -13.8611 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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