1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide

C15H14N2O3S — CID 43384860

IUPAC1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-11-2-7-14(15(18)8-11)17-21(19,20)10-13-5-3-12(9-16)4-6-13/h2-8,17-18H,10H2,1H3
InChIKeyPYKFVEVWYYIEPR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide

1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide (PubChem CID 43384860) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
PubChem CID43384860
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-11-2-7-14(15(18)8-11)17-21(19,20)10-13-5-3-12(9-16)4-6-13/h2-8,17-18H,10H2,1H3
InChIKeyPYKFVEVWYYIEPR-UHFFFAOYSA-N
XLogP2.51
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
CID 75445257
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide (CID 43384860) is 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c(O)c1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The InChIKey is PYKFVEVWYYIEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-2-7-14(15(18)8-11)17-21(19,20)10-13-5-3-12(9-16)4-6-13/h2-8,17-18H,10H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 43384860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).