2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide

C14H11Cl2F2NO2S — CID 100508409

IUPAC2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-2-19(13-6-4-10(17)8-12(13)18)22(20,21)14-7-9(15)3-5-11(14)16/h3-8H,2H2,1H3
InChIKeyOREXFFVJURKAQA-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.49
Rot. Bonds4

About 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide (PubChem CID 100508409) has the molecular formula C14H11Cl2F2NO2S and a molecular weight of 366.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide
PubChem CID100508409
Molecular FormulaC14H11Cl2F2NO2S
Molecular Weight366.22 g/mol
Exact Mass364.99
IUPAC Name2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-2-19(13-6-4-10(17)8-12(13)18)22(20,21)14-7-9(15)3-5-11(14)16/h3-8H,2H2,1H3
InChIKeyOREXFFVJURKAQA-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide (CID 100508409) is 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide is CCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide?
The InChIKey is OREXFFVJURKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO2S/c1-2-19(13-6-4-10(17)8-12(13)18)22(20,21)14-7-9(15)3-5-11(14)16/h3-8H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 100508409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).