5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide

C12H11Cl2NO3S2 — CID 4916594

IUPAC5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H11Cl2NO3S2/c13-9-3-1-2-4-10(9)18-8-7-15-20(16,17)12-6-5-11(14)19-12/h1-6,15H,7-8H2
InChIKeyIKWLDFRWAYXMTK-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.41
Rot. Bonds6

About 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 4916594) has the molecular formula C12H11Cl2NO3S2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID4916594
Molecular FormulaC12H11Cl2NO3S2
Molecular Weight352.26 g/mol
Exact Mass350.96
IUPAC Name5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H11Cl2NO3S2/c13-9-3-1-2-4-10(9)18-8-7-15-20(16,17)12-6-5-11(14)19-12/h1-6,15H,7-8H2
InChIKeyIKWLDFRWAYXMTK-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
CID 60542376
5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101998
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
5-chloro-N-(3-piperidin-4-yloxypropyl)thiophene-2-sulfonamide
CID 63869653
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide (CID 4916594) is 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCOc1ccccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is IKWLDFRWAYXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S2/c13-9-3-1-2-4-10(9)18-8-7-15-20(16,17)12-6-5-11(14)19-12/h1-6,15H,7-8H2.
What are the key properties of 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 352.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4916594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).