Chemical ID: 7277589

c1ccc(cc1)Cc2ccccc2NS(=O)(=O)c3ccccc3Br
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue