2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide

C14H24N2O3S — CID 107318077

IUPAC2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCCCCCO
InChIInChI=1S/C14H24N2O3S/c1-12(2)16-20(18,19)14-9-5-4-8-13(14)15-10-6-3-7-11-17/h4-5,8-9,12,15-17H,3,6-7,10-11H2,1-2H3
InChIKeyQELLYMDAKOJING-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.95
Rot. Bonds9

About 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide

2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 107318077) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID107318077
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCCCCCO
InChIInChI=1S/C14H24N2O3S/c1-12(2)16-20(18,19)14-9-5-4-8-13(14)15-10-6-3-7-11-17/h4-5,8-9,12,15-17H,3,6-7,10-11H2,1-2H3
InChIKeyQELLYMDAKOJING-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.95
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

N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide (CID 107318077) is 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCCCCCO.
What is the InChIKey of 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QELLYMDAKOJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12(2)16-20(18,19)14-9-5-4-8-13(14)15-10-6-3-7-11-17/h4-5,8-9,12,15-17H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide?
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107318077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).