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Chemical ID: 7468741
Chemical ID:
7468741
Name [?]:
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILES [?]:
COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C19H17N3O4S/c1-26-17-8-4-16(5-9-17)22-27(24,25)18-10-6-15(7-11-18)21-19(23)14-3-2-12-20-13-14/h2-13,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,5,7,15,17,4,8,14,18,25,27,22,16,6,3,13,20,26,19,9,21,11,12,2,10/E:(4,5)(6,7)(8,9)(10,11)(24,25)/CRV:27.6/rA:27nCOCCCCCCNSOOCCCCCCNCOCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O4S |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81174 |
Area: | 585.396 |
Solvation: | -4.82315 |
Coulombic: | -44.6331 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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