1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol

C17H20N2O3S — CID 11652870

IUPAC1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccccc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)17(20)15-10-6-7-11-16(15)19-23(21,22)18-12-14-8-4-3-5-9-14/h3-11,17-20H,1,12H2,2H3
InChIKeyFJJCOVDZMPBYFI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.74
Rot. Bonds7

About 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol

1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol (PubChem CID 11652870) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol
PubChem CID11652870
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccccc1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-13(2)17(20)15-10-6-7-11-16(15)19-23(21,22)18-12-14-8-4-3-5-9-14/h3-11,17-20H,1,12H2,2H3
InChIKeyFJJCOVDZMPBYFI-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol (CID 11652870) is 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol is C=C(C)C(O)c1ccccc1NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol?
The InChIKey is FJJCOVDZMPBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)17(20)15-10-6-7-11-16(15)19-23(21,22)18-12-14-8-4-3-5-9-14/h3-11,17-20H,1,12H2,2H3.
What are the key properties of 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol?
1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol has a molecular weight of 332.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylsulfamoylamino)phenyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 11652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).