3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

C12H11F2N3O2S — CID 3829331

IUPAC3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H11F2N3O2S/c1-8-5-16-9(6-15-8)7-17-20(18,19)10-2-3-11(13)12(14)4-10/h2-6,17H,7H2,1H3
InChIKeyRWNMFHPYHLDOKE-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.54
Rot. Bonds4

About 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 3829331) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID3829331
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H11F2N3O2S/c1-8-5-16-9(6-15-8)7-17-20(18,19)10-2-3-11(13)12(14)4-10/h2-6,17H,7H2,1H3
InChIKeyRWNMFHPYHLDOKE-UHFFFAOYSA-N
XLogP1.54
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
3,4-difluoro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122263214
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 121137926
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158054
3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 53017340

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 3829331) is 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(F)c(F)c2)cn1.
What is the InChIKey of 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is RWNMFHPYHLDOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-8-5-16-9(6-15-8)7-17-20(18,19)10-2-3-11(13)12(14)4-10/h2-6,17H,7H2,1H3.
What are the key properties of 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3829331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).