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Chemical ID: 6123378

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)NCc3ccccc3

Chemical ID:

6123378

Name [?]:

N-benzyl-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)NCc3ccccc3

InChi [?]:

InChI=1/C17H17N5O3S/c1-12-7-9-14(10-8-12)26(24,25)21-16-15(19-22-20-16)17(23)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,23)(H2,19,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,22,26,3,7,4,6,20,2,21,5,13,12,17,19,14,16,11,15,18,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:26.6/rA:26nCCCCCCCSOONCCNNNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s13;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₅O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6703
Area:	576.901
Solvation:	-2.75223
Coulombic:	-45.8514

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	371.415
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.27
LogP (Chemaxon):	1.78

Name Annotations

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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