4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide

C13H22N2O3S — CID 106842517

IUPAC4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)13-7-5-12(6-8-13)14-9-3-4-10-16/h5-8,11,14-16H,3-4,9-10H2,1-2H3
InChIKeyPJNJGXUXNMNLRA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds8

About 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide

4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 106842517) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID106842517
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCCCCO)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)13-7-5-12(6-8-13)14-9-3-4-10-16/h5-8,11,14-16H,3-4,9-10H2,1-2H3
InChIKeyPJNJGXUXNMNLRA-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
4-(but-3-enylamino)-N-propan-2-ylbenzenesulfonamide
CID 115644267
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide (CID 106842517) is 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NCCCCO)cc1.
What is the InChIKey of 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PJNJGXUXNMNLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)13-7-5-12(6-8-13)14-9-3-4-10-16/h5-8,11,14-16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide?
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106842517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).