2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide

C15H15Cl2NO3S — CID 3832816

IUPAC2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-2-21-14-6-4-3-5-11(14)10-18-22(19,20)15-8-7-12(16)9-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyCGMGHNFMDCDAGD-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.87
Rot. Bonds6

About 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide

2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 3832816) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
PubChem CID3832816
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-2-21-14-6-4-3-5-11(14)10-18-22(19,20)15-8-7-12(16)9-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyCGMGHNFMDCDAGD-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
CID 66485819
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide (CID 3832816) is 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide is CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CGMGHNFMDCDAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-2-21-14-6-4-3-5-11(14)10-18-22(19,20)15-8-7-12(16)9-13(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide?
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3832816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).