N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide

C11H17NO5S2 — CID 81434171

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C11H17NO5S2/c1-8(2)7-19(16,17)12-10-6-9(18(3,14)15)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3
InChIKeyBMMFFBSQTSWRLO-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.19
Rot. Bonds5

About N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide

N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 81434171) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
PubChem CID81434171
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C11H17NO5S2/c1-8(2)7-19(16,17)12-10-6-9(18(3,14)15)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3
InChIKeyBMMFFBSQTSWRLO-UHFFFAOYSA-N
XLogP1.19
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide (CID 81434171) is N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is BMMFFBSQTSWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-8(2)7-19(16,17)12-10-6-9(18(3,14)15)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide?
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 307.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 81434171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).