2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide

C11H14ClN3O3S — CID 113405985

IUPAC2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccnc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H14ClN3O3S/c12-10-7-9(3-4-13-10)19(17,18)14-8-11(16)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,8H2
InChIKeyYWSKVGKXFJJZGE-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.64
Rot. Bonds4

About 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide

2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide (PubChem CID 113405985) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
PubChem CID113405985
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccnc(Cl)c1)N1CCCC1
InChIInChI=1S/C11H14ClN3O3S/c12-10-7-9(3-4-13-10)19(17,18)14-8-11(16)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,8H2
InChIKeyYWSKVGKXFJJZGE-UHFFFAOYSA-N
XLogP0.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 115582918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide (CID 113405985) is 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide is O=C(CNS(=O)(=O)c1ccnc(Cl)c1)N1CCCC1.
What is the InChIKey of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide?
The InChIKey is YWSKVGKXFJJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-10-7-9(3-4-13-10)19(17,18)14-8-11(16)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide?
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide has a molecular weight of 303.77 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 113405985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).