4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide

C12H18N2O4S — CID 115754843

IUPAC4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(CO)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-8(7-15)9(2)14-19(17,18)11-5-3-10(4-6-11)12(13)16/h3-6,8-9,14-15H,7H2,1-2H3,(H2,13,16)
InChIKeyLSWHMZFKLYKVGU-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.08
Rot. Bonds6

About 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide

4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide (PubChem CID 115754843) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
PubChem CID115754843
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
SMILESCC(CO)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-8(7-15)9(2)14-19(17,18)11-5-3-10(4-6-11)12(13)16/h3-6,8-9,14-15H,7H2,1-2H3,(H2,13,16)
InChIKeyLSWHMZFKLYKVGU-UHFFFAOYSA-N
XLogP0.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569
4-(methylsulfamoyl)benzamide
CID 43241290
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 113484660
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide (CID 115754843) is 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide is CC(CO)C(C)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide?
The InChIKey is LSWHMZFKLYKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(7-15)9(2)14-19(17,18)11-5-3-10(4-6-11)12(13)16/h3-6,8-9,14-15H,7H2,1-2H3,(H2,13,16).
What are the key properties of 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide?
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 115754843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).