4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide

C14H22N2O4S — CID 62521256

IUPAC4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-14(5-2,10-17)16-21(19,20)12-8-6-11(7-9-12)13(18)15-3/h6-9,16-17H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyJXGCGLBGACINGL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.88
Rot. Bonds7

About 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide

4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide (PubChem CID 62521256) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
PubChem CID62521256
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
SMILESCCC(CC)(CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-14(5-2,10-17)16-21(19,20)12-8-6-11(7-9-12)13(18)15-3/h6-9,16-17H,4-5,10H2,1-3H3,(H,15,18)
InChIKeyJXGCGLBGACINGL-UHFFFAOYSA-N
XLogP0.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
4-(1-hydroxypentan-3-ylsulfamoyl)-N-methylbenzamide
CID 115755168
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-(tert-butylsulfamoyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 18166012
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
CID 119981123
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4,5-dimethylbenzenesulfonamide
CID 62522555
3-cyano-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107865863
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923
(2S,3S)-3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]pentanoic acid
CID 119418115

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide (CID 62521256) is 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide is CCC(CC)(CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide?
The InChIKey is JXGCGLBGACINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-14(5-2,10-17)16-21(19,20)12-8-6-11(7-9-12)13(18)15-3/h6-9,16-17H,4-5,10H2,1-3H3,(H,15,18).
What are the key properties of 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide?
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 62521256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).