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

C16H16ClNO4S — CID 110663555

IUPAC4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11(19)12-4-8-15(9-5-12)23(21,22)18-10-16(20)13-2-6-14(17)7-3-13/h2-9,16,18,20H,10H2,1H3
InChIKeyUHPBDUQXVKBMHH-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.55
Rot. Bonds6

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

4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 110663555) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID110663555
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11(19)12-4-8-15(9-5-12)23(21,22)18-10-16(20)13-2-6-14(17)7-3-13/h2-9,16,18,20H,10H2,1H3
InChIKeyUHPBDUQXVKBMHH-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582387
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55439601

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide (CID 110663555) is 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is UHPBDUQXVKBMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(19)12-4-8-15(9-5-12)23(21,22)18-10-16(20)13-2-6-14(17)7-3-13/h2-9,16,18,20H,10H2,1H3.
What are the key properties of 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 110663555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).