Chemical ID: 5563938

Cc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)c2ccccn2
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

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