2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide

C11H15NO3S — CID 106191097

IUPAC2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3S/c1-9(2)7-8-12-16(14,15)11-6-4-3-5-10(11)13/h3-7,12-13H,8H2,1-2H3
InChIKeyZQEHHZYFSFAAEW-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.64
Rot. Bonds4

About 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide

2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide (PubChem CID 106191097) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide
PubChem CID106191097
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H15NO3S/c1-9(2)7-8-12-16(14,15)11-6-4-3-5-10(11)13/h3-7,12-13H,8H2,1-2H3
InChIKeyZQEHHZYFSFAAEW-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
2-bromo-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 103526936
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
N-(2-hydroxyphenyl)sulfonylacetamide
CID 130032595
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 81245129
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide (CID 106191097) is 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide is CC(C)=CCNS(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
The InChIKey is ZQEHHZYFSFAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(2)7-8-12-16(14,15)11-6-4-3-5-10(11)13/h3-7,12-13H,8H2,1-2H3.
What are the key properties of 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide?
2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide is sourced from PubChem (CID 106191097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).