[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene

C12H20N2O3S — CID 75387205

IUPAC[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
SMILESCN(C)S(=O)(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-14(2)18(16,17)13-12(9-6-10-15)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3
InChIKeyLHMVMPQVUYCLIW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.90
Rot. Bonds7

About [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene

[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene (PubChem CID 75387205) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene.

Molecular Properties

Compound Name[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
PubChem CID75387205
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
SMILESCN(C)S(=O)(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-14(2)18(16,17)13-12(9-6-10-15)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3
InChIKeyLHMVMPQVUYCLIW-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene?
The IUPAC name of [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene (CID 75387205) is [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene.
What is the SMILES notation for [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene?
The canonical SMILES for [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene is CN(C)S(=O)(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene?
The InChIKey is LHMVMPQVUYCLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-14(2)18(16,17)13-12(9-6-10-15)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3.
What are the key properties of [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene?
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene has a molecular weight of 272.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene is sourced from PubChem (CID 75387205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).