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Chemical ID: 6832679
Chemical ID:
6832679
Name [?]:
N-[4-(isopropylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILES [?]:
CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C15H17N3O3S/c1-11(2)18-22(20,21)13-8-6-12(7-9-13)17-15(19)14-5-3-4-10-16-14/h3-11,18H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,18,10,12,9,13,21,2,11,8,17,15,22,14,4,16,6,7,5/E:(1,2)(6,7)(8,9)(20,21)/CRV:22.6/rA:22nCCCNSOOCCCCCCNCOCCCCCN/rB:s1;s2;s2;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O3S |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90586 |
Area: | 510.818 |
Solvation: | -2.86458 |
Coulombic: | -39.9907 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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