4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide

C15H18N2O2S — CID 778274

IUPAC4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12(2)11-13-6-8-14(9-7-13)20(18,19)17-15-5-3-4-10-16-15/h3-10,12H,11H2,1-2H3,(H,16,17)
InChIKeyKJOWHXQBLPMISM-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.08
Rot. Bonds5

About 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide

4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 778274) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID778274
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12(2)11-13-6-8-14(9-7-13)20(18,19)17-15-5-3-4-10-16-15/h3-10,12H,11H2,1-2H3,(H,16,17)
InChIKeyKJOWHXQBLPMISM-UHFFFAOYSA-N
XLogP3.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide (CID 778274) is 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is KJOWHXQBLPMISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(2)11-13-6-8-14(9-7-13)20(18,19)17-15-5-3-4-10-16-15/h3-10,12H,11H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide?
4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 778274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).