2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide

C15H13Cl4NO2S — CID 164614626

IUPAC2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1c(C)cc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4NO2S/c1-3-20(15-9(2)6-11(17)7-13(15)19)23(21,22)14-8-10(16)4-5-12(14)18/h4-8H,3H2,1-2H3
InChIKeyZIADPSFQMZCSJR-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.82
Rot. Bonds4

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

2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide (PubChem CID 164614626) has the molecular formula C15H13Cl4NO2S and a molecular weight of 413.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide
PubChem CID164614626
Molecular FormulaC15H13Cl4NO2S
Molecular Weight413.15 g/mol
Exact Mass410.94
IUPAC Name2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1c(C)cc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4NO2S/c1-3-20(15-9(2)6-11(17)7-13(15)19)23(21,22)14-8-10(16)4-5-12(14)18/h4-8H,3H2,1-2H3
InChIKeyZIADPSFQMZCSJR-UHFFFAOYSA-N
XLogP5.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.82
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-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide (CID 164614626) is 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide is CCN(c1c(C)cc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide?
The InChIKey is ZIADPSFQMZCSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4NO2S/c1-3-20(15-9(2)6-11(17)7-13(15)19)23(21,22)14-8-10(16)4-5-12(14)18/h4-8H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(2,4-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide has a molecular weight of 413.15 g/mol, XLogP of 5.82, 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-dichloro-6-methylphenyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).