4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide

C12H18N2O4S — CID 43418837

IUPAC4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-15)13-12(16)10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyHQZMQGYDOMVXEG-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.05
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 43418837) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID43418837
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-15)13-12(16)10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyHQZMQGYDOMVXEG-UHFFFAOYSA-N
XLogP0.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
CID 9441550
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
CID 63319990
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide (CID 43418837) is 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is HQZMQGYDOMVXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-15)13-12(16)10-4-6-11(7-5-10)19(17,18)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16).
What are the key properties of 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 43418837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).