2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide

C14H10Cl3F2NO2S — CID 164613044

IUPAC2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1c(F)cc(Cl)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3F2NO2S/c1-2-20(14-11(18)5-9(16)6-12(14)19)23(21,22)13-7-8(15)3-4-10(13)17/h3-7H,2H2,1H3
InChIKeyJPEMTKYQHFNRAQ-UHFFFAOYSA-N
MW400.66 g/mol
LogP5.14
Rot. Bonds4

About 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide (PubChem CID 164613044) has the molecular formula C14H10Cl3F2NO2S and a molecular weight of 400.66 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide
PubChem CID164613044
Molecular FormulaC14H10Cl3F2NO2S
Molecular Weight400.66 g/mol
Exact Mass398.95
IUPAC Name2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1c(F)cc(Cl)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3F2NO2S/c1-2-20(14-11(18)5-9(16)6-12(14)19)23(21,22)13-7-8(15)3-4-10(13)17/h3-7H,2H2,1H3
InChIKeyJPEMTKYQHFNRAQ-UHFFFAOYSA-N
XLogP5.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.66
LogP ≤ 55.14
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-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide (CID 164613044) is 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide is CCN(c1c(F)cc(Cl)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide?
The InChIKey is JPEMTKYQHFNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3F2NO2S/c1-2-20(14-11(18)5-9(16)6-12(14)19)23(21,22)13-7-8(15)3-4-10(13)17/h3-7H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide has a molecular weight of 400.66 g/mol, XLogP of 5.14, 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-(4-chloro-2,6-difluorophenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).