[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene

C18H32N2O3S — CID 173217527

IUPAC[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene
SMILESCCCCNS(=O)(=O)N(CC(C)C)C(O)(CC)Cc1ccccc1
InChIInChI=1S/C18H32N2O3S/c1-5-7-13-19-24(22,23)20(15-16(3)4)18(21,6-2)14-17-11-9-8-10-12-17/h8-12,16,19,21H,5-7,13-15H2,1-4H3
InChIKeyXYAFADXRAFPZFK-UHFFFAOYSA-N
MW356.53 g/mol
LogP2.92
Rot. Bonds11

About [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene

[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene (PubChem CID 173217527) has the molecular formula C18H32N2O3S and a molecular weight of 356.53 g/mol. Its IUPAC name is [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene.

Molecular Properties

Compound Name[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene
PubChem CID173217527
Molecular FormulaC18H32N2O3S
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC Name[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene
SMILESCCCCNS(=O)(=O)N(CC(C)C)C(O)(CC)Cc1ccccc1
InChIInChI=1S/C18H32N2O3S/c1-5-7-13-19-24(22,23)20(15-16(3)4)18(21,6-2)14-17-11-9-8-10-12-17/h8-12,16,19,21H,5-7,13-15H2,1-4H3
InChIKeyXYAFADXRAFPZFK-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene?
The IUPAC name of [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene (CID 173217527) is [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene.
What is the SMILES notation for [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene?
The canonical SMILES for [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene is CCCCNS(=O)(=O)N(CC(C)C)C(O)(CC)Cc1ccccc1.
What is the InChIKey of [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene?
The InChIKey is XYAFADXRAFPZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3S/c1-5-7-13-19-24(22,23)20(15-16(3)4)18(21,6-2)14-17-11-9-8-10-12-17/h8-12,16,19,21H,5-7,13-15H2,1-4H3.
What are the key properties of [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene?
[2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene has a molecular weight of 356.53 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butylsulfamoyl(2-methylpropyl)amino]-2-hydroxybutyl]benzene is sourced from PubChem (CID 173217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).