5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide

C13H20ClN3O3S — CID 64607317

IUPAC5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)17-4-3-10(8-17)6-16-21(19,20)11-5-12(14)13(18)15-7-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,15,18)
InChIKeyZYWYKGRRYLBGFF-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.04
Rot. Bonds5

About 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide (PubChem CID 64607317) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide
PubChem CID64607317
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)17-4-3-10(8-17)6-16-21(19,20)11-5-12(14)13(18)15-7-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,15,18)
InChIKeyZYWYKGRRYLBGFF-UHFFFAOYSA-N
XLogP1.04
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608260
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607902
3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106137444
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
3-amino-5-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63322314
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
5-chloro-N-(1,3-dimethylpiperidin-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114505759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide (CID 64607317) is 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1.
What is the InChIKey of 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide?
The InChIKey is ZYWYKGRRYLBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-9(2)17-4-3-10(8-17)6-16-21(19,20)11-5-12(14)13(18)15-7-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3,(H,15,18).
What are the key properties of 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide has a molecular weight of 333.84 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).