4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide

C13H22N2O3S — CID 107848765

IUPAC4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-14-19(17,18)13-8-6-12(7-9-13)15-10-4-2-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyLUHDQEPBXPQMMZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds9

About 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide

4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide (PubChem CID 107848765) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
PubChem CID107848765
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-14-19(17,18)13-8-6-12(7-9-13)15-10-4-2-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyLUHDQEPBXPQMMZ-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
6-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54145917
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide (CID 107848765) is 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCCCCCO)cc1.
What is the InChIKey of 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide?
The InChIKey is LUHDQEPBXPQMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-14-19(17,18)13-8-6-12(7-9-13)15-10-4-2-3-5-11-16/h6-9,14-16H,2-5,10-11H2,1H3.
What are the key properties of 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide?
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107848765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).