2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide

C15H14N2O3S — CID 79913321

IUPAC2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide
SMILESCCc1ccc(O)c(NS(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-2-11-7-8-14(18)13(9-11)17-21(19,20)15-6-4-3-5-12(15)10-16/h3-9,17-18H,2H2,1H3
InChIKeyLUADISMDSJYWHM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.63
Rot. Bonds4

About 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide

2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 79913321) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide
PubChem CID79913321
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide
SMILESCCc1ccc(O)c(NS(=O)(=O)c2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O3S/c1-2-11-7-8-14(18)13(9-11)17-21(19,20)15-6-4-3-5-12(15)10-16/h3-9,17-18H,2H2,1H3
InChIKeyLUADISMDSJYWHM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide (CID 79913321) is 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide is CCc1ccc(O)c(NS(=O)(=O)c2ccccc2C#N)c1.
What is the InChIKey of 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is LUADISMDSJYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-11-7-8-14(18)13(9-11)17-21(19,20)15-6-4-3-5-12(15)10-16/h3-9,17-18H,2H2,1H3.
What are the key properties of 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide?
2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 79913321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).