3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide

C17H19Cl2NO3S — CID 139014537

IUPAC3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C17H19Cl2NO3S/c1-4-11-7-6-8-12(5-2)16(11)20-24(21,22)14-10-9-13(18)15(19)17(14)23-3/h6-10,20H,4-5H2,1-3H3
InChIKeyXVPOILGYKFJQIT-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.93
Rot. Bonds6

About 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide

3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 139014537) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID139014537
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C17H19Cl2NO3S/c1-4-11-7-6-8-12(5-2)16(11)20-24(21,22)14-10-9-13(18)15(19)17(14)23-3/h6-10,20H,4-5H2,1-3H3
InChIKeyXVPOILGYKFJQIT-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide (CID 139014537) is 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1OC.
What is the InChIKey of 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is XVPOILGYKFJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c1-4-11-7-6-8-12(5-2)16(11)20-24(21,22)14-10-9-13(18)15(19)17(14)23-3/h6-10,20H,4-5H2,1-3H3.
What are the key properties of 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide?
3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 139014537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).