N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide

C16H17NO4S — CID 94779737

IUPACN-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H17NO4S/c1-11(2)16(19)12-7-9-13(10-8-12)22(20,21)17-14-5-3-4-6-15(14)18/h3-11,17-18H,1-2H3
InChIKeyGIDXTFDEYWIIFZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.03
Rot. Bonds5

About N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide

N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 94779737) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
PubChem CID94779737
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C16H17NO4S/c1-11(2)16(19)12-7-9-13(10-8-12)22(20,21)17-14-5-3-4-6-15(14)18/h3-11,17-18H,1-2H3
InChIKeyGIDXTFDEYWIIFZ-UHFFFAOYSA-N
XLogP3.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 84599289
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
CID 70636800
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2455378

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide (CID 94779737) is N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide is CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2O)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is GIDXTFDEYWIIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11(2)16(19)12-7-9-13(10-8-12)22(20,21)17-14-5-3-4-6-15(14)18/h3-11,17-18H,1-2H3.
What are the key properties of N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide?
N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 94779737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).