2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide

C11H10FN3O4S2 — CID 43616159

IUPAC2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cnccn2)c1
InChIInChI=1S/C11H10FN3O4S2/c1-20(16,17)8-2-3-9(12)10(6-8)21(18,19)15-11-7-13-4-5-14-11/h2-7H,1H3,(H,14,15)
InChIKeyOMDSWIQQZGAGSE-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.82
Rot. Bonds4

About 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide

2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 43616159) has the molecular formula C11H10FN3O4S2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID43616159
Molecular FormulaC11H10FN3O4S2
Molecular Weight331.35 g/mol
Exact Mass331.01
IUPAC Name2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cnccn2)c1
InChIInChI=1S/C11H10FN3O4S2/c1-20(16,17)8-2-3-9(12)10(6-8)21(18,19)15-11-7-13-4-5-14-11/h2-7H,1H3,(H,14,15)
InChIKeyOMDSWIQQZGAGSE-UHFFFAOYSA-N
XLogP0.82
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide (CID 43616159) is 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cnccn2)c1.
What is the InChIKey of 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is OMDSWIQQZGAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S2/c1-20(16,17)8-2-3-9(12)10(6-8)21(18,19)15-11-7-13-4-5-14-11/h2-7H,1H3,(H,14,15).
What are the key properties of 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide?
2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylsulfonyl-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 43616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).