5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide

C11H17ClN2O4S — CID 64606170

IUPAC5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O4S/c1-8(2)14(4-3-5-15)19(17,18)9-6-10(12)11(16)13-7-9/h6-8,15H,3-5H2,1-2H3,(H,13,16)
InChIKeyMSONKKJQGUDVKQ-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.81
Rot. Bonds6

About 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide

5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide (PubChem CID 64606170) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide
PubChem CID64606170
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O4S/c1-8(2)14(4-3-5-15)19(17,18)9-6-10(12)11(16)13-7-9/h6-8,15H,3-5H2,1-2H3,(H,13,16)
InChIKeyMSONKKJQGUDVKQ-UHFFFAOYSA-N
XLogP0.81
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide (CID 64606170) is 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide?
The InChIKey is MSONKKJQGUDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-8(2)14(4-3-5-15)19(17,18)9-6-10(12)11(16)13-7-9/h6-8,15H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide?
5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxypropyl)-6-oxo-N-propan-2-yl-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).