5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H15ClN2O3S2 — CID 64609039

IUPAC5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)c1cccs1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(2)12(11-4-3-5-20-11)16-21(18,19)9-6-10(14)13(17)15-7-9/h3-8,12,16H,1-2H3,(H,15,17)
InChIKeyMCGMXUIFEDWAJM-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.77
Rot. Bonds5

About 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64609039) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64609039
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)c1cccs1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(2)12(11-4-3-5-20-11)16-21(18,19)9-6-10(14)13(17)15-7-9/h3-8,12,16H,1-2H3,(H,15,17)
InChIKeyMCGMXUIFEDWAJM-UHFFFAOYSA-N
XLogP2.77
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
CID 64608093
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
CID 62157709
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
CID 113478107
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64609039) is 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is CC(C)C(NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1)c1cccs1.
What is the InChIKey of 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is MCGMXUIFEDWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8(2)12(11-4-3-5-20-11)16-21(18,19)9-6-10(14)13(17)15-7-9/h3-8,12,16H,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 346.86 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64609039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).