N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide

C11H15NO3S — CID 106831887

IUPACN-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)c(C)cc1O
InChIInChI=1S/C11H15NO3S/c1-7-6-11(13)8(2)5-10(7)12-16(14,15)9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3
InChIKeyXLVVBPGHUVMTJQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.91
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide

N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide (PubChem CID 106831887) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
PubChem CID106831887
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)c(C)cc1O
InChIInChI=1S/C11H15NO3S/c1-7-6-11(13)8(2)5-10(7)12-16(14,15)9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3
InChIKeyXLVVBPGHUVMTJQ-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide (CID 106831887) is N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide is Cc1cc(NS(=O)(=O)C2CC2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide?
The InChIKey is XLVVBPGHUVMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-6-11(13)8(2)5-10(7)12-16(14,15)9-3-4-9/h5-6,9,12-13H,3-4H2,1-2H3.
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide?
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 106831887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).