2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide

C15H14N2O3S — CID 53220239

IUPAC2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc(C#N)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-17(2)21(19,20)15-6-4-3-5-13(15)11-7-8-12(10-16)14(18)9-11/h3-9,18H,1-2H3
InChIKeyYZKKHEBEKGUYLL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide

2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 53220239) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
PubChem CID53220239
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1-c1ccc(C#N)c(O)c1
InChIInChI=1S/C15H14N2O3S/c1-17(2)21(19,20)15-6-4-3-5-13(15)11-7-8-12(10-16)14(18)9-11/h3-9,18H,1-2H3
InChIKeyYZKKHEBEKGUYLL-UHFFFAOYSA-N
XLogP2.18
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53219758
CID 53219758
CID 53219759
CID 53219759
CID 53219760
CID 53219760
CID 53219761
CID 53219761
CID 53219763
CID 53219763
CID 53219765
CID 53219765
CID 53219767
CID 53219767
CID 53219769
CID 53219769
CID 53222194
CID 53222194
CID 10495884
CID 10495884
CID 13180270
CID 13180270
CID 17817956
CID 17817956

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide (CID 53220239) is 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1-c1ccc(C#N)c(O)c1.
What is the InChIKey of 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is YZKKHEBEKGUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17(2)21(19,20)15-6-4-3-5-13(15)11-7-8-12(10-16)14(18)9-11/h3-9,18H,1-2H3.
What are the key properties of 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 53220239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).