4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide

C13H20N2O4S — CID 115755168

IUPAC4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-11(8-9-16)15-20(18,19)12-6-4-10(5-7-12)13(17)14-2/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyPSDJKJAGVLVJLP-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.49
Rot. Bonds7

About 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide

4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide (PubChem CID 115755168) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
PubChem CID115755168
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
SMILESCCC(CCO)NS(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-11(8-9-16)15-20(18,19)12-6-4-10(5-7-12)13(17)14-2/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyPSDJKJAGVLVJLP-UHFFFAOYSA-N
XLogP0.49
TPSA95.50 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 ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
(2S,3S)-3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]pentanoic acid
CID 119418115
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
CID 62521256
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide (CID 115755168) is 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide is CCC(CCO)NS(=O)(=O)c1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide?
The InChIKey is PSDJKJAGVLVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-11(8-9-16)15-20(18,19)12-6-4-10(5-7-12)13(17)14-2/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide?
4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 115755168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).