4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide

C16H16ClNO3S2 — CID 8801384

IUPAC4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S2/c1-12(19)13-2-8-16(9-3-13)23(20,21)18-10-11-22-15-6-4-14(17)5-7-15/h2-9,18H,10-11H2,1H3
InChIKeyAJTQSPHCMLUNIX-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.61
Rot. Bonds7

About 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide

4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide (PubChem CID 8801384) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
PubChem CID8801384
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC Name4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO3S2/c1-12(19)13-2-8-16(9-3-13)23(20,21)18-10-11-22-15-6-4-14(17)5-7-15/h2-9,18H,10-11H2,1H3
InChIKeyAJTQSPHCMLUNIX-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(4-chlorophenyl)sulfanylethylsulfamoyl]benzoate
CID 31765421
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3754145
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-[2-(4-chlorophenyl)sulfanylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 31078383
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]propanoic acid
CID 11744556

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide (CID 8801384) is 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide?
The InChIKey is AJTQSPHCMLUNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c1-12(19)13-2-8-16(9-3-13)23(20,21)18-10-11-22-15-6-4-14(17)5-7-15/h2-9,18H,10-11H2,1H3.
What are the key properties of 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide?
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide has a molecular weight of 369.90 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide is sourced from PubChem (CID 8801384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).