2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide

C11H10FN3O2S — CID 142722053

IUPAC2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccncn2)c1F
InChIInChI=1S/C11H10FN3O2S/c1-8-3-2-4-9(11(8)12)18(16,17)15-10-5-6-13-7-14-10/h2-7H,1H3,(H,13,14,15)
InChIKeyGGROITPLLHDUSD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds3

About 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide

2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 142722053) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID142722053
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccncn2)c1F
InChIInChI=1S/C11H10FN3O2S/c1-8-3-2-4-9(11(8)12)18(16,17)15-10-5-6-13-7-14-10/h2-7H,1H3,(H,13,14,15)
InChIKeyGGROITPLLHDUSD-UHFFFAOYSA-N
XLogP1.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide (CID 142722053) is 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccncn2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is GGROITPLLHDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-8-3-2-4-9(11(8)12)18(16,17)15-10-5-6-13-7-14-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide?
2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 142722053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).