2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H9ClFN3O2S2 — CID 75449048

IUPAC2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCSc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3O2S2/c1-18-8-5-13-14-10(8)15-19(16,17)9-4-6(12)2-3-7(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyMUEPTVRPKGJIIZ-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide

2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 75449048) has the molecular formula C10H9ClFN3O2S2 and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID75449048
Molecular FormulaC10H9ClFN3O2S2
Molecular Weight321.79 g/mol
Exact Mass320.98
IUPAC Name2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCSc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3O2S2/c1-18-8-5-13-14-10(8)15-19(16,17)9-4-6(12)2-3-7(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyMUEPTVRPKGJIIZ-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71974664
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 75449048) is 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide is CSc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is MUEPTVRPKGJIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S2/c1-18-8-5-13-14-10(8)15-19(16,17)9-4-6(12)2-3-7(9)11/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-methylsulfanyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 75449048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).