1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide

C10H12N2O3S — CID 106954612

IUPAC1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC#N)c(C)cc1O
InChIInChI=1S/C10H12N2O3S/c1-7-6-10(13)8(2)5-9(7)12-16(14,15)4-3-11/h5-6,12-13H,4H2,1-2H3
InChIKeyGUJKHCXPQXTDLJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.27
Rot. Bonds3

About 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide

1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide (PubChem CID 106954612) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide
PubChem CID106954612
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC#N)c(C)cc1O
InChIInChI=1S/C10H12N2O3S/c1-7-6-10(13)8(2)5-9(7)12-16(14,15)4-3-11/h5-6,12-13H,4H2,1-2H3
InChIKeyGUJKHCXPQXTDLJ-UHFFFAOYSA-N
XLogP1.27
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)propane-1-sulfonamide
CID 106954583
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925
4,4,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)butane-1-sulfonamide
CID 106954586
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
CID 106831887
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
CID 107625962
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598
2-(cyanomethylsulfonylamino)-3,5-dimethylbenzoic acid
CID 63927922
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764782
methyl 2-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 106954607

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide (CID 106954612) is 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide is Cc1cc(NS(=O)(=O)CC#N)c(C)cc1O.
What is the InChIKey of 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide?
The InChIKey is GUJKHCXPQXTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7-6-10(13)8(2)5-9(7)12-16(14,15)4-3-11/h5-6,12-13H,4H2,1-2H3.
What are the key properties of 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide?
1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-hydroxy-2,5-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 106954612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).