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

C11H16ClN3O3S — CID 64608260

IUPAC5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-15-3-2-8(7-15)5-14-19(17,18)9-4-10(12)11(16)13-6-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyKJNDOVQRXLNTBS-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.26
Rot. Bonds4

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

5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64608260) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64608260
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-15-3-2-8(7-15)5-14-19(17,18)9-4-10(12)11(16)13-6-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,16)
InChIKeyKJNDOVQRXLNTBS-UHFFFAOYSA-N
XLogP0.26
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64608260) is 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CN1CCC(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)C1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is KJNDOVQRXLNTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15-3-2-8(7-15)5-14-19(17,18)9-4-10(12)11(16)13-6-9/h4,6,8,14H,2-3,5,7H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 305.79 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).