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

C12H17ClN2O2S — CID 107398335

IUPAC6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(9-10-4-3-5-10)18(16,17)11-6-7-12(13)14-8-11/h6-8,10H,2-5,9H2,1H3
InChIKeySRRZZUDFXUJRPR-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.55
Rot. Bonds5

About 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide

6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide (PubChem CID 107398335) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
PubChem CID107398335
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O2S/c1-2-15(9-10-4-3-5-10)18(16,17)11-6-7-12(13)14-8-11/h6-8,10H,2-5,9H2,1H3
InChIKeySRRZZUDFXUJRPR-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

6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
CID 174467940
CID 174467940
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide (CID 107398335) is 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is SRRZZUDFXUJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-2-15(9-10-4-3-5-10)18(16,17)11-6-7-12(13)14-8-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide?
6-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 6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 107398335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).