2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

C12H12FN3O2S — CID 62847397

IUPAC2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O2S/c1-9-6-15-10(7-14-9)8-16-19(17,18)12-5-3-2-4-11(12)13/h2-7,16H,8H2,1H3
InChIKeyDYCCBUIUXXAOSY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.40
Rot. Bonds4

About 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 62847397) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID62847397
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O2S/c1-9-6-15-10(7-14-9)8-16-19(17,18)12-5-3-2-4-11(12)13/h2-7,16H,8H2,1H3
InChIKeyDYCCBUIUXXAOSY-UHFFFAOYSA-N
XLogP1.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 62847397) is 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccccc2F)cn1.
What is the InChIKey of 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is DYCCBUIUXXAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-9-6-15-10(7-14-9)8-16-19(17,18)12-5-3-2-4-11(12)13/h2-7,16H,8H2,1H3.
What are the key properties of 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62847397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).