4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide

C15H15Cl2NO3S — CID 113099484

IUPAC4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCOc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-11-9-14(5-6-15(11)17)22(19,20)18-7-8-21-13-4-2-3-12(16)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyNUFNVALQQHGUMN-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide

4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide (PubChem CID 113099484) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
PubChem CID113099484
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCOc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-11-9-14(5-6-15(11)17)22(19,20)18-7-8-21-13-4-2-3-12(16)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyNUFNVALQQHGUMN-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide (CID 113099484) is 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCOc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is NUFNVALQQHGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-11-9-14(5-6-15(11)17)22(19,20)18-7-8-21-13-4-2-3-12(16)10-13/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide?
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113099484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).