2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H12FN3O2S — CID 60531981

IUPAC2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C11H12FN3O2S/c1-8-3-4-9(12)10(7-8)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14)
InChIKeyPLZOEVFDPWWIJP-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.67
Rot. Bonds3

About 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 60531981) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID60531981
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C11H12FN3O2S/c1-8-3-4-9(12)10(7-8)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14)
InChIKeyPLZOEVFDPWWIJP-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 60531981) is 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is PLZOEVFDPWWIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-3-4-9(12)10(7-8)18(16,17)14-11-5-6-15(2)13-11/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60531981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).