2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide

C13H13Cl2NO4S2 — CID 34111661

IUPAC2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H13Cl2NO4S2/c1-19-9-3-2-4-10(7-9)20-6-5-16-22(17,18)11-8-12(14)21-13(11)15/h2-4,7-8,16H,5-6H2,1H3
InChIKeyIQNPPKTZVBRVJA-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.42
Rot. Bonds7

About 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide (PubChem CID 34111661) has the molecular formula C13H13Cl2NO4S2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
PubChem CID34111661
Molecular FormulaC13H13Cl2NO4S2
Molecular Weight382.29 g/mol
Exact Mass380.97
IUPAC Name2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H13Cl2NO4S2/c1-19-9-3-2-4-10(7-9)20-6-5-16-22(17,18)11-8-12(14)21-13(11)15/h2-4,7-8,16H,5-6H2,1H3
InChIKeyIQNPPKTZVBRVJA-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide
CID 75404006
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
2,5-dichloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thiophene-3-sulfonamide
CID 6975848
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide (CID 34111661) is 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide is COc1cccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide?
The InChIKey is IQNPPKTZVBRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4S2/c1-19-9-3-2-4-10(7-9)20-6-5-16-22(17,18)11-8-12(14)21-13(11)15/h2-4,7-8,16H,5-6H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide has a molecular weight of 382.29 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 34111661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).