N-(4-fluorophenyl)sulfonyl-2-methylpropanamide

C10H12FNO3S — CID 47268952

IUPACN-(4-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyXSYCYSOZEKOSMJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.29
Rot. Bonds3

About N-(4-fluorophenyl)sulfonyl-2-methylpropanamide

N-(4-fluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 47268952) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID47268952
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-(4-fluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyXSYCYSOZEKOSMJ-UHFFFAOYSA-N
XLogP1.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
methyl N-[(2S)-1-[(4-fluorophenyl)sulfonylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71878003
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765
2-methyl-N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]phenyl]sulfonylpropanamide
CID 167519651
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-2-methylpropanamide (CID 47268952) is N-(4-fluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is XSYCYSOZEKOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(4-fluorophenyl)sulfonyl-2-methylpropanamide?
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 245.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 47268952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).