2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide

C15H15Cl2NO3S — CID 1044245

IUPAC2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-3-21-12-6-4-11(5-7-12)18-22(19,20)14-9-8-13(16)10(2)15(14)17/h4-9,18H,3H2,1-2H3
InChIKeyKJWBNXFFAJFKBF-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.50
Rot. Bonds5

About 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide

2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 1044245) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID1044245
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-3-21-12-6-4-11(5-7-12)18-22(19,20)14-9-8-13(16)10(2)15(14)17/h4-9,18H,3H2,1-2H3
InChIKeyKJWBNXFFAJFKBF-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide (CID 1044245) is 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is KJWBNXFFAJFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-3-21-12-6-4-11(5-7-12)18-22(19,20)14-9-8-13(16)10(2)15(14)17/h4-9,18H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide?
2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-ethoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 1044245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).