3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide

C21H17ClFNO3S — CID 167641467

IUPAC3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F
InChIInChI=1S/C21H17ClFNO3S/c1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18/h2-12,24H,13H2,1H3
InChIKeyBTZGLHYNTKEMFN-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.62
Rot. Bonds6

About 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide

3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 167641467) has the molecular formula C21H17ClFNO3S and a molecular weight of 417.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID167641467
Molecular FormulaC21H17ClFNO3S
Molecular Weight417.89 g/mol
Exact Mass417.06
IUPAC Name3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F
InChIInChI=1S/C21H17ClFNO3S/c1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18/h2-12,24H,13H2,1H3
InChIKeyBTZGLHYNTKEMFN-UHFFFAOYSA-N
XLogP4.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 165054999
N-[2-[5-(2,3-difluorophenyl)-2-fluoro-3-methylphenyl]-2-oxoethyl]benzenesulfonamide
CID 167649792
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167569996
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
CID 167570004
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 167641470
3-chloro-N-[2-(2-fluoro-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-4-(hydroxymethyl)benzenesulfonamide;1-(2-fluoro-3-methyl-5-phenylphenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanone;2-fluoro-3-methyl-5-phenyl-N-pyrrolidin-1-ylsulfonylbenzamide;N-[2-(2-methylphenyl)-2-oxoethyl]benzenesulfonamide
CID 167626657
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108
N-(benzenesulfonyl)-1H-indole-3-carboxamide;3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methylphenyl)-2-oxoethyl]benzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]-4-methoxybenzenesulfonamide;N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
CID 167641465
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
CID 167709101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide (CID 167641467) is 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide is Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)c1F.
What is the InChIKey of 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BTZGLHYNTKEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO3S/c1-14-10-16(15-6-3-2-4-7-15)11-19(21(14)23)20(25)13-24-28(26,27)18-9-5-8-17(22)12-18/h2-12,24H,13H2,1H3.
What are the key properties of 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide?
3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 417.89 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 167641467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).