Chemical ID: 7219796

Cc1c(c(n(n1)C(F)F)C)S(=O)(=O)Nc2ncn(n2)Cc3ccc(cc3)Cl
Chemical ID:
7219796
Name [?]:
N-[1-[(4-chlorophenyl)methyl]-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)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H15ClF2N6O2S/c1-9-13(10(2)24(20-9)14(17)18)27(25,26)22-15-19-8-23(21-15)7-11-3-5-12(16)6-4-11/h3-6,8,14H,7H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,22,26,23,25,20,17,2,4,21,24,3,7,15,27,8,9,16,6,19,14,18,5,12,13,11/E:(3,4)(5,6)(17,18)(25,26)/CRV:27.6/rA:27nCCCCNNCFFCSOONCNCNNCCCCCCCCl/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClF2N6O2S
All Atoms:42
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.34744
Area:569.231
Solvation:-4.88333
Coulombic:-39.6058
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:416.834
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):2.36

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