4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide

C11H14N2O3S — CID 103833705

IUPAC4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H14N2O3S/c1-9-7-10(8-12)3-4-11(9)17(15,16)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyOSYPNNZHEZFPAB-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.48
Rot. Bonds4

About 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide

4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 103833705) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID103833705
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H14N2O3S/c1-9-7-10(8-12)3-4-11(9)17(15,16)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3
InChIKeyOSYPNNZHEZFPAB-UHFFFAOYSA-N
XLogP0.48
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
CID 106997235
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
N-(2-bromoethyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 106441867
4-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997808
N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-N,2-dimethylbenzenesulfonamide
CID 54879954
4-cyano-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106997278
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide (CID 103833705) is 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is OSYPNNZHEZFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-9-7-10(8-12)3-4-11(9)17(15,16)13(2)5-6-14/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide?
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 103833705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).