3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide

C17H20ClNO3S — CID 113098500

IUPAC3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H20ClNO3S/c1-4-12-7-6-8-13(5-2)17(12)19-23(20,21)14-9-10-16(22-3)15(18)11-14/h6-11,19H,4-5H2,1-3H3
InChIKeyBQZSPPYNEGODLG-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.27
Rot. Bonds6

About 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide

3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 113098500) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
PubChem CID113098500
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H20ClNO3S/c1-4-12-7-6-8-13(5-2)17(12)19-23(20,21)14-9-10-16(22-3)15(18)11-14/h6-11,19H,4-5H2,1-3H3
InChIKeyBQZSPPYNEGODLG-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 37497691
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide (CID 113098500) is 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is BQZSPPYNEGODLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-4-12-7-6-8-13(5-2)17(12)19-23(20,21)14-9-10-16(22-3)15(18)11-14/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113098500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).