Chemical ID: 7305062

CN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)Br)OC
Chemical ID:
7305062
Name [?]:
3-bromo-4-methoxy-N-methyl-N-phenyl-benzenesulfonamide
SMILES [?]:
CN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)Br)OC
InChi [?]:
InChI=1/C14H14BrNO3S/c1-16(11-6-4-3-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,5,7,4,8,13,14,17,3,12,16,15,18,2,10,11,19,9/E:(4,5)(6,7)(17,18)/CRV:20.6/rA:20cCNCCCCCCSOOCCCCCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14BrNO3S
All Atoms:34
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.29778
Area:471.11
Solvation:-3.47997
Coulombic:-15.1669
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.236
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):3.39

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