N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide

C16H15F2NO4S — CID 55652815

IUPACN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO4S/c1-24(22,23)12-5-2-10(3-6-12)16(21)19-9-15(20)11-4-7-13(17)14(18)8-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyXKDKWNWXFFAWQE-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide

N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide (PubChem CID 55652815) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
PubChem CID55652815
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO4S/c1-24(22,23)12-5-2-10(3-6-12)16(21)19-9-15(20)11-4-7-13(17)14(18)8-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyXKDKWNWXFFAWQE-UHFFFAOYSA-N
XLogP1.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-nitrobenzamide
CID 55652813
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55652582
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide (CID 55652815) is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
The InChIKey is XKDKWNWXFFAWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-24(22,23)12-5-2-10(3-6-12)16(21)19-9-15(20)11-4-7-13(17)14(18)8-11/h2-8,15,20H,9H2,1H3,(H,19,21).
What are the key properties of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide?
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide has a molecular weight of 355.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 55652815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).