Chemical ID: 7317473

CCc1ccccc1NS(=O)(=O)c2cccc(c2)Br
Chemical ID:
7317473
Name [?]:
3-bromo-N-(2-ethylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1ccccc1NS(=O)(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C14H14BrNO2S/c1-2-11-6-3-4-9-14(11)16-19(17,18)13-8-5-7-12(15)10-13/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,15,4,16,14,7,18,3,17,13,8,19,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCCNSOOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14BrNO2S
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.53198
Area:446.363
Solvation:-1.62711
Coulombic:-14.4134
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.237
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):4.26

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