4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C18H13ClF3N7O2S — CID 24803292

IUPAC4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(-c2nncn2-c2ccn[nH]2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13ClF3N7O2S/c1-10-6-14(16(23-8-10)17-27-25-9-29(17)15-4-5-24-26-15)28-32(30,31)11-2-3-13(19)12(7-11)18(20,21)22/h2-9,28H,1H3,(H,24,26)
InChIKeyVBQYUEZVUVOZKU-UHFFFAOYSA-N
MW483.86 g/mol
LogP3.83
Rot. Bonds5

About 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24803292) has the molecular formula C18H13ClF3N7O2S and a molecular weight of 483.86 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24803292
Molecular FormulaC18H13ClF3N7O2S
Molecular Weight483.86 g/mol
Exact Mass483.05
IUPAC Name4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(-c2nncn2-c2ccn[nH]2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H13ClF3N7O2S/c1-10-6-14(16(23-8-10)17-27-25-9-29(17)15-4-5-24-26-15)28-32(30,31)11-2-3-13(19)12(7-11)18(20,21)22/h2-9,28H,1H3,(H,24,26)
InChIKeyVBQYUEZVUVOZKU-UHFFFAOYSA-N
XLogP3.83
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sgk1-IN-1
CID 71506845
N-(2-Chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 141461656
8-(4-Chlorophenyl)sulfonyl-7-methyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraene
CID 24865069
2,5-dichloro-N-[2-fluoro-4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537259
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-5-chloro-2-fluorobenzenesulfonamide
CID 71537263
5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2,4-difluorobenzenesulfonamide
CID 71538952
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 71538955
N-[4-(3-amino-1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-chlorobenzenesulfonamide
CID 89463862
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-chloro-3-fluorobenzenesulfonamide
CID 89464020
N-[1-[8-(2-chlorophenyl)-9-(1-methylpyrazol-3-yl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156304
4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide
CID 162394960

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 24803292) is 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cnc(-c2nncn2-c2ccn[nH]2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VBQYUEZVUVOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N7O2S/c1-10-6-14(16(23-8-10)17-27-25-9-29(17)15-4-5-24-26-15)28-32(30,31)11-2-3-13(19)12(7-11)18(20,21)22/h2-9,28H,1H3,(H,24,26).
What are the key properties of 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 483.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24803292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).