3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C10H9ClFN3O2S — CID 60531983

IUPAC3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2S/c1-15-6-5-9(13-15)14-18(16,17)8-4-2-3-7(11)10(8)12/h2-6H,1H3,(H,13,14)
InChIKeyAJGWKJVKYNNKBR-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.01
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 60531983) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID60531983
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2cccc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2S/c1-15-6-5-9(13-15)14-18(16,17)8-4-2-3-7(11)10(8)12/h2-6H,1H3,(H,13,14)
InChIKeyAJGWKJVKYNNKBR-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
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022617
{1-[(2-Chloro-6-fluorophenyl)methyl]pyrazol-3-yl}(ethylsulfonyl)amine
CID 17374646
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 19582324
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25335240
3,5-dichloro-N-(1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 25501843
3-chloro-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-fluorobenzenesulfonamide
CID 53581960

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 60531983) is 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2cccc(Cl)c2F)n1.
What is the InChIKey of 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is AJGWKJVKYNNKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-15-6-5-9(13-15)14-18(16,17)8-4-2-3-7(11)10(8)12/h2-6H,1H3,(H,13,14).
What are the key properties of 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-chloro-2-fluoro-N-(1-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 3-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60531983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).