N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide

C11H16FNO2S — CID 47121983

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-8(2)11(13-16(3,14)15)9-4-6-10(12)7-5-9/h4-8,11,13H,1-3H3
InChIKeyBSMLTMHHKZDIEK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide

N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide (PubChem CID 47121983) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
PubChem CID47121983
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
SMILESCC(C)C(NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-8(2)11(13-16(3,14)15)9-4-6-10(12)7-5-9/h4-8,11,13H,1-3H3
InChIKeyBSMLTMHHKZDIEK-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 24511478
4-[(dimethylamino)methyl]-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 99796852
N-[2-(5-butan-2-yl-3-pyridinyl)-1-(4-fluorophenyl)-2-phenylethyl]methanesulfonamide
CID 143179174
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanoic acid
CID 66171694
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
(2R)-2-(methanesulfonamido)-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 97000024
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide (CID 47121983) is N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide is CC(C)C(NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide?
The InChIKey is BSMLTMHHKZDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8(2)11(13-16(3,14)15)9-4-6-10(12)7-5-9/h4-8,11,13H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 47121983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).