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Chemical ID: 7277589
Chemical ID:
7277589
Name [?]:
N-(2-benzylphenyl)-2-bromo-benzenesulfonamide
SMILES [?]:
c1ccc(cc1)Cc2ccccc2NS(=O)(=O)c3ccccc3Br
InChi [?]:
InChI=1/C19H16BrNO2S/c20-17-11-5-7-13-19(17)24(22,23)21-18-12-6-4-10-16(18)14-15-8-2-1-3-9-15/h1-13,21H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,21,11,20,3,5,9,22,12,19,7,4,8,23,13,18,24,14,16,17,15/E:(2,3)(8,9)(22,23)/CRV:24.6/rA:24nCCCCCCCCCCCCCNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrNO2S |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3311 |
Area: | 507.416 |
Solvation: | -2.35432 |
Coulombic: | -15.4976 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 402.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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