2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide

C12H10Cl2FNO3S2 — CID 60533459

IUPAC2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C12H10Cl2FNO3S2/c1-2-19-9-4-3-7(5-8(9)15)16-21(17,18)10-6-11(13)20-12(10)14/h3-6,16H,2H2,1H3
InChIKeyJOADXAYZJMXMIG-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.39
Rot. Bonds5

About 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide

2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide (PubChem CID 60533459) has the molecular formula C12H10Cl2FNO3S2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide
PubChem CID60533459
Molecular FormulaC12H10Cl2FNO3S2
Molecular Weight370.25 g/mol
Exact Mass368.95
IUPAC Name2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1F
InChIInChI=1S/C12H10Cl2FNO3S2/c1-2-19-9-4-3-7(5-8(9)15)16-21(17,18)10-6-11(13)20-12(10)14/h3-6,16H,2H2,1H3
InChIKeyJOADXAYZJMXMIG-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide (CID 60533459) is 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide?
The InChIKey is JOADXAYZJMXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNO3S2/c1-2-19-9-4-3-7(5-8(9)15)16-21(17,18)10-6-11(13)20-12(10)14/h3-6,16H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide has a molecular weight of 370.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 60533459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).