3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C10H9ClFN3O2S — CID 25047881

IUPAC3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H9ClFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)7-2-3-9(12)8(11)5-7/h2-5H,1H3,(H2,13,14,15)
InChIKeyBIURBHSQHDLPFU-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.31
Rot. Bonds3

About 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 25047881) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID25047881
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H9ClFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)7-2-3-9(12)8(11)5-7/h2-5H,1H3,(H2,13,14,15)
InChIKeyBIURBHSQHDLPFU-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 25047881) is 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is BIURBHSQHDLPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-6-4-10(14-13-6)15-18(16,17)7-2-3-9(12)8(11)5-7/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 25047881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).