4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide

C13H20N2O4S — CID 103834407

IUPAC4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(2)7-11(16)8-15-20(18,19)12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)
InChIKeyAVRBIMXIQPRSBY-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.47
Rot. Bonds7

About 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide

4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide (PubChem CID 103834407) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
PubChem CID103834407
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(2)7-11(16)8-15-20(18,19)12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)
InChIKeyAVRBIMXIQPRSBY-UHFFFAOYSA-N
XLogP0.47
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzenesulfonamide
CID 104626172
4-[[2-(diethylamino)-2-phenylethyl]sulfamoyl]benzamide
CID 86911832

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide?
The IUPAC name of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide (CID 103834407) is 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide is CC(C)CC(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide?
The InChIKey is AVRBIMXIQPRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)7-11(16)8-15-20(18,19)12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17).
What are the key properties of 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide?
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide has a molecular weight of 300.38 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide is sourced from PubChem (CID 103834407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).