2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide

C12H17ClN2O2S — CID 107398331

IUPAC2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(9-10-5-3-6-10)18(16,17)11-7-4-8-14-12(11)13/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyLXZSREJDVDGBEP-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.55
Rot. Bonds5

About 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide

2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide (PubChem CID 107398331) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
PubChem CID107398331
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(9-10-5-3-6-10)18(16,17)11-7-4-8-14-12(11)13/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyLXZSREJDVDGBEP-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.55
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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Related Compounds

3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 55226922
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 61046113
N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 171133561
N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
CID 107401260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide (CID 107398331) is 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is LXZSREJDVDGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-15(9-10-5-3-6-10)18(16,17)11-7-4-8-14-12(11)13/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 107398331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).