5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide

C14H16ClNO5S2 — CID 113101998

IUPAC5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2ccc(Cl)s2)c1OC
InChIInChI=1S/C14H16ClNO5S2/c1-19-10-4-3-5-11(14(10)20-2)21-9-8-16-23(17,18)13-7-6-12(15)22-13/h3-7,16H,8-9H2,1-2H3
InChIKeyPKRPPIVZFDBFKD-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.78
Rot. Bonds8

About 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 113101998) has the molecular formula C14H16ClNO5S2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID113101998
Molecular FormulaC14H16ClNO5S2
Molecular Weight377.87 g/mol
Exact Mass377.02
IUPAC Name5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2ccc(Cl)s2)c1OC
InChIInChI=1S/C14H16ClNO5S2/c1-19-10-4-3-5-11(14(10)20-2)21-9-8-16-23(17,18)13-7-6-12(15)22-13/h3-7,16H,8-9H2,1-2H3
InChIKeyPKRPPIVZFDBFKD-UHFFFAOYSA-N
XLogP2.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113102003
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide (CID 113101998) is 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide is COc1cccc(OCCNS(=O)(=O)c2ccc(Cl)s2)c1OC.
What is the InChIKey of 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is PKRPPIVZFDBFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5S2/c1-19-10-4-3-5-11(14(10)20-2)21-9-8-16-23(17,18)13-7-6-12(15)22-13/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 377.87 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113101998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).