2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

C11H15ClN2O3S — CID 61435899

IUPAC2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-14(8-9-3-2-6-17-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJTKVFYJQDNTXHJ-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide

2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (PubChem CID 61435899) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
PubChem CID61435899
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-14(8-9-3-2-6-17-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyJTKVFYJQDNTXHJ-UHFFFAOYSA-N
XLogP1.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-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

3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
3-fluoro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82846972
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide (CID 61435899) is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is CN(CC1CCCO1)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is JTKVFYJQDNTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-14(8-9-3-2-6-17-9)18(15,16)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide?
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61435899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).