6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

C15H17ClN2O3S — CID 31391306

IUPAC6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H17ClN2O3S/c1-3-21-13-6-4-12(5-7-13)11-18(2)22(19,20)14-8-9-15(16)17-10-14/h4-10H,3,11H2,1-2H3
InChIKeyDGJHLXCYRJLCGY-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.95
Rot. Bonds6

About 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide

6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 31391306) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID31391306
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H17ClN2O3S/c1-3-21-13-6-4-12(5-7-13)11-18(2)22(19,20)14-8-9-15(16)17-10-14/h4-10H,3,11H2,1-2H3
InChIKeyDGJHLXCYRJLCGY-UHFFFAOYSA-N
XLogP2.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
6-chloro-N-(2-deuteriopropan-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 87129670
6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110302702
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61414521
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide (CID 31391306) is 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is DGJHLXCYRJLCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-3-21-13-6-4-12(5-7-13)11-18(2)22(19,20)14-8-9-15(16)17-10-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide?
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 340.83 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 31391306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).