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

C9H10N2O4S — CID 114764782

IUPAC1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)CC#N
InChIInChI=1S/C9H10N2O4S/c1-15-8-4-2-3-7(12)9(8)11-16(13,14)6-5-10/h2-4,11-12H,6H2,1H3
InChIKeyPNTWMFOLQSAIBK-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.67
Rot. Bonds4

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

1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide (PubChem CID 114764782) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
PubChem CID114764782
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)CC#N
InChIInChI=1S/C9H10N2O4S/c1-15-8-4-2-3-7(12)9(8)11-16(13,14)6-5-10/h2-4,11-12H,6H2,1H3
InChIKeyPNTWMFOLQSAIBK-UHFFFAOYSA-N
XLogP0.67
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.67
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

1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764767
methyl 4-[(2-hydroxy-6-methoxyphenyl)sulfamoyl]butanoate
CID 114764729
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764808
methyl 3-[(2-cyano-6-methoxyphenyl)sulfamoyl]propanoate
CID 107468233
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
methanesulfonic acid;2-methoxyphenol
CID 71332079
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide (CID 114764782) is 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide is COc1cccc(O)c1NS(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
The InChIKey is PNTWMFOLQSAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-15-8-4-2-3-7(12)9(8)11-16(13,14)6-5-10/h2-4,11-12H,6H2,1H3.
What are the key properties of 1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide?
1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.67, 4 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-6-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 114764782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).