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Chemical ID: 5563938
Chemical ID:
5563938
Name [?]:
N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]pyridine-2-carboxamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C15H17N3O3S/c1-11-7-8-12(10-14(11)22(20,21)18(2)3)17-15(19)13-6-4-5-9-16-13/h4-10H,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,19,20,18,3,4,21,6,2,5,17,7,15,22,14,11,16,9,10,8/E:(2,3)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCNCOCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s11;s5;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73015 |
Area: | 506.024 |
Solvation: | -2.92045 |
Coulombic: | -34.7039 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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