2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide

C12H17ClN2O2S — CID 54896063

IUPAC2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(10-5-3-4-6-10)18(16,17)11-7-8-14-12(13)9-11/h7-10H,2-6H2,1H3
InChIKeyXXHUPXCAIVEHGP-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.69
Rot. Bonds4

About 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide

2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide (PubChem CID 54896063) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
PubChem CID54896063
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(10-5-3-4-6-10)18(16,17)11-7-8-14-12(13)9-11/h7-10H,2-6H2,1H3
InChIKeyXXHUPXCAIVEHGP-UHFFFAOYSA-N
XLogP2.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide (CID 54896063) is 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide is CCN(C1CCCC1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide?
The InChIKey is XXHUPXCAIVEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-15(10-5-3-4-6-10)18(16,17)11-7-8-14-12(13)9-11/h7-10H,2-6H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide?
2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide is sourced from PubChem (CID 54896063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).