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

C16H16ClNO4S — CID 110663554

IUPAC3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c1-11(19)13-3-2-4-15(9-13)23(21,22)18-10-16(20)12-5-7-14(17)8-6-12/h2-9,16,18,20H,10H2,1H3
InChIKeyJLAIITQDCVTLIE-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.55
Rot. Bonds6

About 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide

3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 110663554) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID110663554
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c1-11(19)13-3-2-4-15(9-13)23(21,22)18-10-16(20)12-5-7-14(17)8-6-12/h2-9,16,18,20H,10H2,1H3
InChIKeyJLAIITQDCVTLIE-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

4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide (CID 110663554) is 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is JLAIITQDCVTLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(19)13-3-2-4-15(9-13)23(21,22)18-10-16(20)12-5-7-14(17)8-6-12/h2-9,16,18,20H,10H2,1H3.
What are the key properties of 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide?
3-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 3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 110663554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).