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Chemical ID: 4461047
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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