Chemical ID: 4461047

Cc1ccc(c(c1)C)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C
Chemical ID:
4461047
Name [?]:
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,6-trimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3c(cc(cc3C)C)C
InChi [?]:
InChI=1/C23H26N2O4S2/c1-15-6-11-22(17(3)12-15)25-30(26,27)21-9-7-20(8-10-21)24-31(28,29)23-18(4)13-16(2)14-19(23)5/h6-14,24-25H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,30,8,29,31,3,15,17,14,18,4,7,27,25,2,26,6,28,24,16,13,5,23,19,9,11,12,21,22,10,20/E:(4,5)(7,8)(9,10)(13,14)(18,19)(26,27)(28,29)/CRV:30.6,31.6/rA:31nCCCCCCCCNSOOCCCCCCNSOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s28;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.7618
Area:627.971
Solvation:-2.93749
Coulombic:-25.6744
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:458.596
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):5.51

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