4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide

C17H17Cl2NO4S — CID 18083392

IUPAC4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCOc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-12(21)13-6-8-14(9-7-13)25(22,23)20(2)10-11-24-17-15(18)4-3-5-16(17)19/h3-9H,10-11H2,1-2H3
InChIKeyYAJBCEDVKDJNEQ-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.90
Rot. Bonds7

About 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide

4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide (PubChem CID 18083392) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
PubChem CID18083392
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Name4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCOc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO4S/c1-12(21)13-6-8-14(9-7-13)25(22,23)20(2)10-11-24-17-15(18)4-3-5-16(17)19/h3-9H,10-11H2,1-2H3
InChIKeyYAJBCEDVKDJNEQ-UHFFFAOYSA-N
XLogP3.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-acetyl-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 3724820
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 18112539
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate
CID 30932748
3-[3-[(4-chlorophenyl)sulfonyl-methylamino]propoxy]benzoic acid
CID 14917015

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide (CID 18083392) is 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCOc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is YAJBCEDVKDJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-12(21)13-6-8-14(9-7-13)25(22,23)20(2)10-11-24-17-15(18)4-3-5-16(17)19/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide?
4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 402.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 18083392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).