1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide

C11H14N2O4S — CID 102696024

IUPAC1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C11H14N2O4S/c1-3-9(7-12)18(15,16)13-10-6-8(17-2)4-5-11(10)14/h4-6,9,13-14H,3H2,1-2H3
InChIKeyLQYAZCOYWWQGPY-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.44
Rot. Bonds5

About 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide

1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide (PubChem CID 102696024) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide
PubChem CID102696024
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C11H14N2O4S/c1-3-9(7-12)18(15,16)13-10-6-8(17-2)4-5-11(10)14/h4-6,9,13-14H,3H2,1-2H3
InChIKeyLQYAZCOYWWQGPY-UHFFFAOYSA-N
XLogP1.44
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 113256472
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide
CID 71909494
1-cyano-N-[(2-hydroxyphenyl)methyl]propane-1-sulfonamide
CID 113338253
N-(5-amino-2,4-dimethylphenyl)-1-cyanopropane-1-sulfonamide
CID 104757207
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
1-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1-sulfonamide
CID 107600424
2-(butylamino)-4-methoxyphenol
CID 57058313
N-(5-chloro-2-nitrophenyl)-1-cyanopropane-1-sulfonamide
CID 107857531
1-cyano-N-(4-cyano-2-nitrophenyl)propane-1-sulfonamide
CID 107857414
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
2-(cyanomethylsulfonylamino)-4-methoxybenzoic acid
CID 115411259

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide (CID 102696024) is 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide?
The InChIKey is LQYAZCOYWWQGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-3-9(7-12)18(15,16)13-10-6-8(17-2)4-5-11(10)14/h4-6,9,13-14H,3H2,1-2H3.
What are the key properties of 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide?
1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 102696024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).