N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide

C11H15FN2O3S — CID 62998747

IUPACN-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H15FN2O3S/c1-7(2)18(16,17)14-11-6-9(13-8(3)15)4-5-10(11)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyBOJAFEGMOSBSSL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.93
Rot. Bonds4

About N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide

N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 62998747) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
PubChem CID62998747
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C11H15FN2O3S/c1-7(2)18(16,17)14-11-6-9(13-8(3)15)4-5-10(11)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyBOJAFEGMOSBSSL-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
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N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
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N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
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N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
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N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide (CID 62998747) is N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is BOJAFEGMOSBSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-7(2)18(16,17)14-11-6-9(13-8(3)15)4-5-10(11)12/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 62998747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).