5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide

C11H17ClN2O3S — CID 64608066

IUPAC5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-4-5-8(2)14(3)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyOPBHLTDMUHXHCW-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.84
Rot. Bonds5

About 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide

5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide (PubChem CID 64608066) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
PubChem CID64608066
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-4-5-8(2)14(3)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyOPBHLTDMUHXHCW-UHFFFAOYSA-N
XLogP1.84
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide (CID 64608066) is 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide is CCCC(C)N(C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide?
The InChIKey is OPBHLTDMUHXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-4-5-8(2)14(3)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide?
5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).