3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide

C16H17FN2O4S — CID 78856698

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O4S/c1-11(10-20)18-16(21)12-5-4-6-13(9-12)24(22,23)19-15-8-3-2-7-14(15)17/h2-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyBIZPPIWKGGQYIB-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.74
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 78856698) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID78856698
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O4S/c1-11(10-20)18-16(21)12-5-4-6-13(9-12)24(22,23)19-15-8-3-2-7-14(15)17/h2-9,11,19-20H,10H2,1H3,(H,18,21)
InChIKeyBIZPPIWKGGQYIB-UHFFFAOYSA-N
XLogP1.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(2-fluorophenyl)sulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132667869
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24642262
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
CID 119666444
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide (CID 78856698) is 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is BIZPPIWKGGQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11(10-20)18-16(21)12-5-4-6-13(9-12)24(22,23)19-15-8-3-2-7-14(15)17/h2-9,11,19-20H,10H2,1H3,(H,18,21).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 78856698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).