2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C10H9ClFN3O2S — CID 2808931

IUPAC2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2S/c1-15-10(4-5-13-15)14-18(16,17)9-3-2-7(12)6-8(9)11/h2-6,14H,1H3
InChIKeyIOLQXHLIIHJBLP-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.01
Rot. Bonds3

About 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808931) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808931
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2S/c1-15-10(4-5-13-15)14-18(16,17)9-3-2-7(12)6-8(9)11/h2-6,14H,1H3
InChIKeyIOLQXHLIIHJBLP-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 90285817
4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 2808908
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25335240
2,4-difluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 53618798
4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 100614196
6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 100636255
3-chloro-2-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 60531983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808931) is 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is IOLQXHLIIHJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-15-10(4-5-13-15)14-18(16,17)9-3-2-7(12)6-8(9)11/h2-6,14H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).