Chemical ID: 4067656

CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc(cc(c2)OC)OC
Chemical ID:
4067656
Name [?]:
N-(3,5-dimethoxyphenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H21NO4S/c1-12(2)13-5-7-17(8-6-13)23(19,20)18-14-9-15(21-3)11-16(10-14)22-4/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,23,5,9,6,8,19,15,17,2,4,14,18,16,7,13,11,12,20,22,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(15,16)(19,20)(21,22)/CRV:23.6/rA:23nCCCCCCCCCSOONCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.72174
Area:525.533
Solvation:-4.41658
Coulombic:-26.9799
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.419
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):3.3

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