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Chemical ID: 7219639

Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)Nc2ncn(n2)Cc3ccccc3

Chemical ID:

7219639

Name [?]:

N-(1-benzyl-1,2,4-triazol-3-yl)-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide

SMILES [?]:

Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)Nc2ncn(n2)Cc3ccccc3

InChi [?]:

InChI=1/C15H16F2N6O2S/c1-10-13(11(2)23(19-10)14(16)17)26(24,25)21-15-18-9-22(20-15)8-12-6-4-3-5-7-12/h3-7,9,14H,8H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,10,24,23,25,22,26,20,17,2,4,21,3,7,15,8,9,16,6,19,14,18,5,12,13,11/E:(4,5)(6,7)(16,17)(24,25)/CRV:26.6/rA:26nCCCCNNCFFCSOONCNCNNCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;s4;s3;d11;d11;s11;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆F₂N₆O₂S
All Atoms:	42
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.46529
Area:	533.976
Solvation:	-4.88412
Coulombic:	-39.5155

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	382.39
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.21
LogP (Chemaxon):	1.84

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

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Chemical Mix	Source	External ID	Descriptor	Value