N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide

C14H11F2NO3S — CID 7565548

IUPACN-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyVWICFGYCEUOZNQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.62
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide

N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide (PubChem CID 7565548) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
PubChem CID7565548
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC NameN-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyVWICFGYCEUOZNQ-UHFFFAOYSA-N
XLogP2.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
CID 17224852
N-(4-fluoro-2-methoxyphenyl)-2-methylsulfonylbenzamide
CID 33283391
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976575
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium
CID 20850610
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylsulfonylbenzamide
CID 86982656

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide (CID 7565548) is N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide?
The InChIKey is VWICFGYCEUOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide?
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide has a molecular weight of 311.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 7565548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).