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

C10H10FN3O2S — CID 2808893

IUPAC4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O2S/c1-14-10(6-7-12-14)13-17(15,16)9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyPRPKDAOJFGGIEJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.36
Rot. Bonds3

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

4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808893) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808893
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O2S/c1-14-10(6-7-12-14)13-17(15,16)9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyPRPKDAOJFGGIEJ-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808893) is 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is PRPKDAOJFGGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-14-10(6-7-12-14)13-17(15,16)9-4-2-8(11)3-5-9/h2-7,13H,1H3.
What are the key properties of 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).