4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide

C17H20N2O4S — CID 78783239

IUPAC4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-12(2)19-24(22,23)16-9-7-13(8-10-16)17(21)18-14-5-4-6-15(20)11-14/h4-12,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyMZZCTAQRUFEILW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.72
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 78783239) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
PubChem CID78783239
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-12(2)19-24(22,23)16-9-7-13(8-10-16)17(21)18-14-5-4-6-15(20)11-14/h4-12,19-20H,3H2,1-2H3,(H,18,21)
InChIKeyMZZCTAQRUFEILW-UHFFFAOYSA-N
XLogP2.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[3-(triazol-1-yl)phenyl]benzamide
CID 97025472
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide (CID 78783239) is 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is MZZCTAQRUFEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-12(2)19-24(22,23)16-9-7-13(8-10-16)17(21)18-14-5-4-6-15(20)11-14/h4-12,19-20H,3H2,1-2H3,(H,18,21).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 78783239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).