1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

C15H24FNO2S — CID 94616410

IUPAC1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-14(2,3)11-15(4,5)17-20(18,19)10-12-6-8-13(16)9-7-12/h6-9,17H,10-11H2,1-5H3
InChIKeyOBPMZBNUADZPJD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (PubChem CID 94616410) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
PubChem CID94616410
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2S/c1-14(2,3)11-15(4,5)17-20(18,19)10-12-6-8-13(16)9-7-12/h6-9,17H,10-11H2,1-5H3
InChIKeyOBPMZBNUADZPJD-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
(3-Fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
(2-Fluorophenyl)methanesulfonamide
CID 22141435
N-(6-methylheptan-2-yl)-1-phenylmethanesulfonamide
CID 2915412
2-(4-Fluorophenyl)ethane-1-sulfonamide
CID 18756082
N-ethyl-1-(4-fluorophenyl)methanesulfonamide
CID 17741049
N-butyl-2-phenylethene-1-sulfonamide
CID 2442127
1-phenyl-N-(propan-2-yl)methanesulfonamide
CID 669278
N-(pentan-2-yl)-1-phenylmethanesulfonamide
CID 2886094
1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 2963215
C-(4-Fluoro-phenyl)-N-methyl-methanesulfonamide
CID 17741048

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (CID 94616410) is 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The InChIKey is OBPMZBNUADZPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-14(2,3)11-15(4,5)17-20(18,19)10-12-6-8-13(16)9-7-12/h6-9,17H,10-11H2,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 94616410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).