[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene

C13H22N2O3S — CID 107319507

IUPAC[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-15(12-13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3
InChIKeyFJHOWYGLXSZSGQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.12
Rot. Bonds9

About [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene

[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene (PubChem CID 107319507) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene.

Molecular Properties

Compound Name[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
PubChem CID107319507
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
SMILESCN(Cc1ccccc1)S(=O)(=O)NCCCCCO
InChIInChI=1S/C13H22N2O3S/c1-15(12-13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3
InChIKeyFJHOWYGLXSZSGQ-UHFFFAOYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
N-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]methylbenzene
CID 103835998

Frequently Asked Questions

What is the IUPAC name of [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene?
The IUPAC name of [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene (CID 107319507) is [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene.
What is the SMILES notation for [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene?
The canonical SMILES for [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene is CN(Cc1ccccc1)S(=O)(=O)NCCCCCO.
What is the InChIKey of [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene?
The InChIKey is FJHOWYGLXSZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(12-13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-16/h2,4-5,8-9,14,16H,3,6-7,10-12H2,1H3.
What are the key properties of [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene?
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene has a molecular weight of 286.40 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene is sourced from PubChem (CID 107319507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).