1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide

C10H9ClFN3O2S — CID 107889713

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H9ClFN3O2S/c11-9-2-1-7(3-10(9)12)5-15-6-8(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17)
InChIKeyUJCTXIQTHQQTDH-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.37
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide

1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 107889713) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID107889713
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C10H9ClFN3O2S/c11-9-2-1-7(3-10(9)12)5-15-6-8(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17)
InChIKeyUJCTXIQTHQQTDH-UHFFFAOYSA-N
XLogP1.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide 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

1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[(2,5-dichlorophenyl)methyl]pyrazole-4-sulfonamide
CID 81340006
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 107886857
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-nitropyrazole
CID 107885716
1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 102619521
[3-fluoro-4-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165481482
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide (CID 107889713) is 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is UJCTXIQTHQQTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c11-9-2-1-7(3-10(9)12)5-15-6-8(4-14-15)18(13,16)17/h1-4,6H,5H2,(H2,13,16,17).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide?
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 107889713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).