2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide

C16H16Cl3NO3S — CID 164612765

IUPAC2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3NO3S/c1-11-9-12(17)4-6-15(11)20(7-8-23-2)24(21,22)16-10-13(18)3-5-14(16)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWNMKJXDMOUYSEF-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.80
Rot. Bonds6

About 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide

2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 164612765) has the molecular formula C16H16Cl3NO3S and a molecular weight of 408.73 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID164612765
Molecular FormulaC16H16Cl3NO3S
Molecular Weight408.73 g/mol
Exact Mass406.99
IUPAC Name2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3NO3S/c1-11-9-12(17)4-6-15(11)20(7-8-23-2)24(21,22)16-10-13(18)3-5-14(16)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWNMKJXDMOUYSEF-UHFFFAOYSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.80
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-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 164612765) is 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is WNMKJXDMOUYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NO3S/c1-11-9-12(17)4-6-15(11)20(7-8-23-2)24(21,22)16-10-13(18)3-5-14(16)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide?
2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 408.73 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 164612765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).