2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide

C15H12Cl2N2O2S — CID 164621982

IUPAC2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c1-2-19(14-6-4-3-5-11(14)10-18)22(20,21)15-9-12(16)7-8-13(15)17/h3-9H,2H2,1H3
InChIKeyRAYJDNVEPMNGAR-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.08
Rot. Bonds4

About 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide (PubChem CID 164621982) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide
PubChem CID164621982
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c1-2-19(14-6-4-3-5-11(14)10-18)22(20,21)15-9-12(16)7-8-13(15)17/h3-9H,2H2,1H3
InChIKeyRAYJDNVEPMNGAR-UHFFFAOYSA-N
XLogP4.08
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide (CID 164621982) is 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide is CCN(c1ccccc1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide?
The InChIKey is RAYJDNVEPMNGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-2-19(14-6-4-3-5-11(14)10-18)22(20,21)15-9-12(16)7-8-13(15)17/h3-9H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide has a molecular weight of 355.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164621982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).