2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide

C11H15ClN2O2S — CID 63957203

IUPAC2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-2-14(8-9-3-4-9)17(15,16)10-5-6-13-11(12)7-10/h5-7,9H,2-4,8H2,1H3
InChIKeyXIMFQUOYTKFYPT-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.16
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide

2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide (PubChem CID 63957203) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
PubChem CID63957203
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-2-14(8-9-3-4-9)17(15,16)10-5-6-13-11(12)7-10/h5-7,9H,2-4,8H2,1H3
InChIKeyXIMFQUOYTKFYPT-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.16
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

2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
CID 54896063
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 61053217
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide (CID 63957203) is 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide is CCN(CC1CC1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide?
The InChIKey is XIMFQUOYTKFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-14(8-9-3-4-9)17(15,16)10-5-6-13-11(12)7-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide?
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide is sourced from PubChem (CID 63957203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).