N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide

C12H17FN2O4S — CID 115875772

IUPACN-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CO)c(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-8(7-16)15(3)20(18,19)12-5-4-10(6-11(12)13)14-9(2)17/h4-6,8,16H,7H2,1-3H3,(H,14,17)
InChIKeyCUBSGVYKVGREGL-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.79
Rot. Bonds5

About N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide

N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 115875772) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID115875772
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CO)c(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-8(7-16)15(3)20(18,19)12-5-4-10(6-11(12)13)14-9(2)17/h4-6,8,16H,7H2,1-3H3,(H,14,17)
InChIKeyCUBSGVYKVGREGL-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
CID 60956568
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
CID 79410911

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide (CID 115875772) is N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CO)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is CUBSGVYKVGREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8(7-16)15(3)20(18,19)12-5-4-10(6-11(12)13)14-9(2)17/h4-6,8,16H,7H2,1-3H3,(H,14,17).
What are the key properties of N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide?
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 115875772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).