Chemical ID: 7312052

CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)OC
Chemical ID:
7312052
Name [?]:
4-isopropyl-N-(3-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C16H19NO3S/c1-12(2)13-7-9-16(10-8-13)21(18,19)17-14-5-4-6-15(11-14)20-3/h4-12,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,21,16,15,17,5,9,6,8,19,2,4,14,18,7,13,11,12,20,10/E:(1,2)(7,8)(9,10)(18,19)/CRV:21.6/rA:21nCCCCCCCCCSOONCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO3S
All Atoms:40
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.27554
Area:489.154
Solvation:-2.95331
Coulombic:-21.1737
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.393
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.03
LogP (Chemaxon):3.55

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