1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide

C11H10FN3O2S — CID 86804588

IUPAC1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cnccn1
InChIInChI=1S/C11H10FN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-11-7-13-5-6-14-11/h1-7H,8H2,(H,14,15)
InChIKeyJZDATTNOCCSPPS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide

1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide (PubChem CID 86804588) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
PubChem CID86804588
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cnccn1
InChIInChI=1S/C11H10FN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-11-7-13-5-6-14-11/h1-7H,8H2,(H,14,15)
InChIKeyJZDATTNOCCSPPS-UHFFFAOYSA-N
XLogP1.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide (CID 86804588) is 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1cnccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide?
The InChIKey is JZDATTNOCCSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-11-7-13-5-6-14-11/h1-7H,8H2,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide?
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide is sourced from PubChem (CID 86804588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).