4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide

C15H15Cl2NO3S — CID 113102632

IUPAC4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-11-10-13(17)4-7-15(11)21-9-8-18-22(19,20)14-5-2-12(16)3-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeyDMHSVEFDRBZJIT-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 113102632) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID113102632
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO3S/c1-11-10-13(17)4-7-15(11)21-9-8-18-22(19,20)14-5-2-12(16)3-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeyDMHSVEFDRBZJIT-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

N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
N-[3-[2-[4-(4-chloro-2-methylphenoxy)butanoyl]hydrazinyl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55348657
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
2-(4-chloro-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62572163
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide (CID 113102632) is 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide is Cc1cc(Cl)ccc1OCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is DMHSVEFDRBZJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-11-10-13(17)4-7-15(11)21-9-8-18-22(19,20)14-5-2-12(16)3-6-14/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide 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-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113102632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).