6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

C20H19ClN2O3S — CID 4841961

IUPAC6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-23(17-7-5-4-6-8-17)27(24,25)18-10-12-20(22-14-18)26-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3
InChIKeyXKOZVYCEFOEYHA-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.05
Rot. Bonds6

About 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 4841961) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID4841961
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-23(17-7-5-4-6-8-17)27(24,25)18-10-12-20(22-14-18)26-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3
InChIKeyXKOZVYCEFOEYHA-UHFFFAOYSA-N
XLogP5.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-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

6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 1643
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 4841961) is 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is XKOZVYCEFOEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-3-23(17-7-5-4-6-8-17)27(24,25)18-10-12-20(22-14-18)26-19-11-9-16(21)13-15(19)2/h4-14H,3H2,1-2H3.
What are the key properties of 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 402.90 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 4841961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).