2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide

C11H12FN3O4S2 — CID 63822070

IUPAC2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)n[nH]1
InChIInChI=1S/C11H12FN3O4S2/c1-7-5-11(14-13-7)15-21(18,19)10-6-8(20(2,16)17)3-4-9(10)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyGPJIRNAQIFJGQV-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.06
Rot. Bonds4

About 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide

2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 63822070) has the molecular formula C11H12FN3O4S2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide
PubChem CID63822070
Molecular FormulaC11H12FN3O4S2
Molecular Weight333.37 g/mol
Exact Mass333.03
IUPAC Name2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)n[nH]1
InChIInChI=1S/C11H12FN3O4S2/c1-7-5-11(14-13-7)15-21(18,19)10-6-8(20(2,16)17)3-4-9(10)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyGPJIRNAQIFJGQV-UHFFFAOYSA-N
XLogP1.06
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide (CID 63822070) is 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)n[nH]1.
What is the InChIKey of 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is GPJIRNAQIFJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4S2/c1-7-5-11(14-13-7)15-21(18,19)10-6-8(20(2,16)17)3-4-9(10)12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide?
2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 63822070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).