Chemical ID: 7280953

Cc1cccc(c1)NS(=O)(=O)c2ccc(c(c2)NC(=O)c3ccc4ccccc4n3)C
Chemical ID:
7280953
Name [?]:
N-[2-methyl-5-(m-tolylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2ccc(c(c2)NC(=O)c3ccc4ccccc4n3)C
InChi [?]:
InChI=1/C24H21N3O3S/c1-16-6-5-8-19(14-16)27-31(29,30)20-12-10-17(2)23(15-20)26-24(28)22-13-11-18-7-3-4-9-21(18)25-22/h3-15,27H,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,31,26,27,4,3,25,5,28,14,23,13,22,7,17,2,15,24,6,12,29,21,16,19,30,18,8,20,10,11,9/E:(29,30)/CRV:31.6/rA:31nCCCCCCCNSOOCCCCCCNCOCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O3S
All Atoms:52
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1471
Area:640.792
Solvation:-2.87267
Coulombic:-42.3
Bond Count [?]
All:34
Single:20
Double:14
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:431.508
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.54
LogP (Chemaxon):4.44

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Descriptor Annotations

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