N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide

C16H16ClNO4S — CID 47022574

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-23(21,22)14-8-4-12(5-9-14)16(20)18-10-15(19)11-2-6-13(17)7-3-11/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyVLYCYHHTPIXEDK-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide (PubChem CID 47022574) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
PubChem CID47022574
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-23(21,22)14-8-4-12(5-9-14)16(20)18-10-15(19)11-2-6-13(17)7-3-11/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyVLYCYHHTPIXEDK-UHFFFAOYSA-N
XLogP2.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 55652815
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide
CID 75430606
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
CID 111477067
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide (CID 47022574) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The InChIKey is VLYCYHHTPIXEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-23(21,22)14-8-4-12(5-9-14)16(20)18-10-15(19)11-2-6-13(17)7-3-11/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide has a molecular weight of 353.83 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 47022574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).