2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide

C15H15Cl2NO3S — CID 2439982

IUPAC2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-11-21-12-6-3-2-4-7-12)22(19,20)14-9-5-8-13(16)15(14)17/h2-9H,10-11H2,1H3
InChIKeyKLLVFXBEJAHVHG-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.69
Rot. Bonds6

About 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide

2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 2439982) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID2439982
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-11-21-12-6-3-2-4-7-12)22(19,20)14-9-5-8-13(16)15(14)17/h2-9H,10-11H2,1H3
InChIKeyKLLVFXBEJAHVHG-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 69321042
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
CID 78870484
2,3-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylbenzenesulfonamide
CID 136534263
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 112788277
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide (CID 2439982) is 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide is CN(CCOc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is KLLVFXBEJAHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-18(10-11-21-12-6-3-2-4-7-12)22(19,20)14-9-5-8-13(16)15(14)17/h2-9H,10-11H2,1H3.
What are the key properties of 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2439982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).