5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

C14H15ClN2O3S — CID 64607143

IUPAC5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-3-10-4-6-11(7-5-10)17(2)21(19,20)12-8-13(15)14(18)16-9-12/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyPUXRFTHKKFWVJO-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.42
Rot. Bonds4

About 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607143) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607143
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O3S/c1-3-10-4-6-11(7-5-10)17(2)21(19,20)12-8-13(15)14(18)16-9-12/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyPUXRFTHKKFWVJO-UHFFFAOYSA-N
XLogP2.42
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 64607143) is 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is CCc1ccc(N(C)S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PUXRFTHKKFWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-3-10-4-6-11(7-5-10)17(2)21(19,20)12-8-13(15)14(18)16-9-12/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).