6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide

C16H19ClN2O3S — CID 4788833

IUPAC6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C16H19ClN2O3S/c1-4-19(5-2)23(20,21)14-7-9-16(18-11-14)22-15-8-6-13(17)10-12(15)3/h6-11H,4-5H2,1-3H3
InChIKeyRNZQSTDVFYPXRD-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.87
Rot. Bonds6

About 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide

6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4788833) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide
PubChem CID4788833
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C16H19ClN2O3S/c1-4-19(5-2)23(20,21)14-7-9-16(18-11-14)22-15-8-6-13(17)10-12(15)3/h6-11H,4-5H2,1-3H3
InChIKeyRNZQSTDVFYPXRD-UHFFFAOYSA-N
XLogP3.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide (CID 4788833) is 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2C)nc1.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is RNZQSTDVFYPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-4-19(5-2)23(20,21)14-7-9-16(18-11-14)22-15-8-6-13(17)10-12(15)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide?
6-(4-chloro-2-methylphenoxy)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 354.86 g/mol, XLogP of 3.87, 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,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4788833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).