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Chemical ID: 6123367

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccc(cc3C)C

Chemical ID:

6123367

Name [?]:

N-(2,4-dimethylphenyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccc(cc3C)C

InChi [?]:

InChI=1/C18H19N5O3S/c1-11-4-7-14(8-5-11)27(25,26)22-17-16(20-23-21-17)18(24)19-15-9-6-12(2)10-13(15)3/h4-10H,1-3H3,(H,19,24)(H2,20,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,27,26,3,7,22,4,6,21,24,2,23,25,5,20,13,12,17,19,14,16,11,15,18,9,10,8/E:(4,5)(7,8)(25,26)/CRV:27.6/rA:27nCCCCCCCSOONCCNNNCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s13;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₅O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9337
Area:	585.654
Solvation:	-2.70771
Coulombic:	-44.2808

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	385.441
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.79
LogP (Chemaxon):	2.45

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value