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Chemical ID: 7468863
Chemical ID:
7468863
Name [?]:
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILES [?]:
Cc1cccc(c1NS(=O)(=O)c2ccc(cc2)NC(=O)c3cccnc3)C
InChi [?]:
InChI=1/C20H19N3O3S/c1-14-5-3-6-15(2)19(14)23-27(25,26)18-10-8-17(9-11-18)22-20(24)16-7-4-12-21-13-16/h3-13,23H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,4,23,3,5,22,14,16,13,17,24,26,2,6,21,15,12,7,19,25,18,8,20,10,11,9/E:(1,2)(5,6)(8,9)(10,11)(14,15)(25,26)/CRV:27.6/rA:27nCCCCCCCNSOOCCCCCCNCOCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O3S |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6853 |
Area: | 561.616 |
Solvation: | -3.35511 |
Coulombic: | -38.3767 |
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: | 2.89 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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