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Chemical ID: 7468753
Chemical ID:
7468753
Name [?]:
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2ccc(cc2)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C20H19N3O3S/c1-14-5-6-18(12-15(14)2)23-27(25,26)19-9-7-17(8-10-19)22-20(24)16-4-3-11-21-13-16/h3-13,23H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,3,4,15,17,14,18,25,6,27,2,7,22,16,5,13,20,26,19,9,21,11,12,10/E:(7,8)(9,10)(25,26)/CRV:27.6/rA:27nCCCCCCCCNSOOCCCCCCNCOCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O3S |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2592 |
Area: | 588.878 |
Solvation: | -3.46279 |
Coulombic: | -38.1517 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.449 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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