4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide

C13H20N2O4S — CID 65031807

IUPAC4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(9-16)8-14-13(17)11-4-6-12(7-5-11)20(18,19)15(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,14,17)
InChIKeyKFNUCMQVHORONO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.30
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide

4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 65031807) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID65031807
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(9-16)8-14-13(17)11-4-6-12(7-5-11)20(18,19)15(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,14,17)
InChIKeyKFNUCMQVHORONO-UHFFFAOYSA-N
XLogP0.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 65031709
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 7319718
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986665
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide (CID 65031807) is 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is KFNUCMQVHORONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(9-16)8-14-13(17)11-4-6-12(7-5-11)20(18,19)15(2)3/h4-7,10,16H,8-9H2,1-3H3,(H,14,17).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide?
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65031807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).