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

C14H13Cl2NO3S — CID 30171874

IUPAC2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-11-5-7-12(8-6-11)20-10-9-17-21(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyHMYDCYAFBZFMEG-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.35
Rot. Bonds6

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

2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide (PubChem CID 30171874) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
PubChem CID30171874
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c15-11-5-7-12(8-6-11)20-10-9-17-21(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyHMYDCYAFBZFMEG-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.35
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

2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
CID 17475981
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide (CID 30171874) is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide?
The InChIKey is HMYDCYAFBZFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-11-5-7-12(8-6-11)20-10-9-17-21(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2.
What are the key properties of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide?
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 30171874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).