4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

C18H20FNO3S — CID 26544292

IUPAC4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C18H20FNO3S/c1-12(2)18(15-4-8-16(19)9-5-15)20-24(22,23)17-10-6-14(7-11-17)13(3)21/h4-12,18,20H,1-3H3/t18-/m1/s1
InChIKeyVCSVGCJSESGHRL-GOSISDBHSA-N
MW349.43 g/mol
LogP3.70
Rot. Bonds6

About 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide

4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (PubChem CID 26544292) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
PubChem CID26544292
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C18H20FNO3S/c1-12(2)18(15-4-8-16(19)9-5-15)20-24(22,23)17-10-6-14(7-11-17)13(3)21/h4-12,18,20H,1-3H3/t18-/m1/s1
InChIKeyVCSVGCJSESGHRL-GOSISDBHSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 99796852
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
CID 47121983
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide (CID 26544292) is 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
The InChIKey is VCSVGCJSESGHRL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-12(2)18(15-4-8-16(19)9-5-15)20-24(22,23)17-10-6-14(7-11-17)13(3)21/h4-12,18,20H,1-3H3/t18-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide?
4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 26544292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).