N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide

C11H15ClN2O2S — CID 102873627

IUPACN-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCCl)C1CCC1
InChIInChI=1S/C11H15ClN2O2S/c12-6-8-14(10-3-1-4-10)17(15,16)11-5-2-7-13-9-11/h2,5,7,9-10H,1,3-4,6,8H2
InChIKeyJMYHDYDUCAULON-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.86
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide

N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide (PubChem CID 102873627) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
PubChem CID102873627
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCCl)C1CCC1
InChIInChI=1S/C11H15ClN2O2S/c12-6-8-14(10-3-1-4-10)17(15,16)11-5-2-7-13-9-11/h2,5,7,9-10H,1,3-4,6,8H2
InChIKeyJMYHDYDUCAULON-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 86817906
N-cyclopropyl-N-[2-(2,6-dichlorophenoxy)ethyl]pyridine-3-sulfonamide
CID 55603342
N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 141273254
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 63397040
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
N-methyl-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 60548741
N-(2-chloroethyl)-N-cyclobutyl-2-methylbenzenesulfonamide
CID 102873632
N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 167889655
N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873634

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide (CID 102873627) is N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide?
The InChIKey is JMYHDYDUCAULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-6-8-14(10-3-1-4-10)17(15,16)11-5-2-7-13-9-11/h2,5,7,9-10H,1,3-4,6,8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide?
N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutylpyridine-3-sulfonamide is sourced from PubChem (CID 102873627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).