2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide

C10H15ClN2O3S — CID 107651563

IUPAC2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
SMILESCCCn1cc(NS(=O)(=O)CCCl)ccc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-2-6-13-8-9(3-4-10(13)14)12-17(15,16)7-5-11/h3-4,8,12H,2,5-7H2,1H3
InChIKeyZAPIRJXRRATTCK-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.24
Rot. Bonds6

About 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide

2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide (PubChem CID 107651563) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
PubChem CID107651563
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
SMILESCCCn1cc(NS(=O)(=O)CCCl)ccc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-2-6-13-8-9(3-4-10(13)14)12-17(15,16)7-5-11/h3-4,8,12H,2,5-7H2,1H3
InChIKeyZAPIRJXRRATTCK-UHFFFAOYSA-N
XLogP1.24
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide (CID 107651563) is 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide is CCCn1cc(NS(=O)(=O)CCCl)ccc1=O.
What is the InChIKey of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is ZAPIRJXRRATTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-2-6-13-8-9(3-4-10(13)14)12-17(15,16)7-5-11/h3-4,8,12H,2,5-7H2,1H3.
What are the key properties of 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide?
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 107651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).