1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide

C11H15NO4S — CID 114764767

IUPAC1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H15NO4S/c1-16-10-4-2-3-9(13)11(10)12-17(14,15)7-8-5-6-8/h2-4,8,12-13H,5-7H2,1H3
InChIKeyHOEXUJUELNUWHZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.55
Rot. Bonds5

About 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide

1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide (PubChem CID 114764767) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
PubChem CID114764767
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H15NO4S/c1-16-10-4-2-3-9(13)11(10)12-17(14,15)7-8-5-6-8/h2-4,8,12-13H,5-7H2,1H3
InChIKeyHOEXUJUELNUWHZ-UHFFFAOYSA-N
XLogP1.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764782
methyl 4-[(2-hydroxy-6-methoxyphenyl)sulfamoyl]butanoate
CID 114764729
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 64987778
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764808
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689
1-bromo-2-(cyclopropylmethylsulfonyl)-3-methoxybenzene
CID 166295006
N-(2-amino-6-chlorophenyl)-1-cyclopropylmethanesulfonamide
CID 64987356
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide (CID 114764767) is 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide is COc1cccc(O)c1NS(=O)(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The InChIKey is HOEXUJUELNUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-10-4-2-3-9(13)11(10)12-17(14,15)7-8-5-6-8/h2-4,8,12-13H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 114764767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).