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

C17H19FN2O3S — CID 134040610

IUPACN-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-11(2)13-4-7-15(8-5-13)24(22,23)20-17-10-14(19-12(3)21)6-9-16(17)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGMYMNYAZJKUZSX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.71
Rot. Bonds5

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

N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 134040610) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID134040610
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H19FN2O3S/c1-11(2)13-4-7-15(8-5-13)24(22,23)20-17-10-14(19-12(3)21)6-9-16(17)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyGMYMNYAZJKUZSX-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
CID 61455348
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide (CID 134040610) is N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is GMYMNYAZJKUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11(2)13-4-7-15(8-5-13)24(22,23)20-17-10-14(19-12(3)21)6-9-16(17)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide?
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 134040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).