4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide

C7H10BrNO3S2 — CID 58001360

IUPAC4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1scc(Br)c1OC
InChIInChI=1S/C7H10BrNO3S2/c1-3-9-14(10,11)7-6(12-2)5(8)4-13-7/h4,9H,3H2,1-2H3
InChIKeyFEKIPEMDVOZOFT-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.82
Rot. Bonds4

About 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide

4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide (PubChem CID 58001360) has the molecular formula C7H10BrNO3S2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide
PubChem CID58001360
Molecular FormulaC7H10BrNO3S2
Molecular Weight300.20 g/mol
Exact Mass298.93
IUPAC Name4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1scc(Br)c1OC
InChIInChI=1S/C7H10BrNO3S2/c1-3-9-14(10,11)7-6(12-2)5(8)4-13-7/h4,9H,3H2,1-2H3
InChIKeyFEKIPEMDVOZOFT-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide (CID 58001360) is 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide is CCNS(=O)(=O)c1scc(Br)c1OC.
What is the InChIKey of 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide?
The InChIKey is FEKIPEMDVOZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO3S2/c1-3-9-14(10,11)7-6(12-2)5(8)4-13-7/h4,9H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide?
4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide has a molecular weight of 300.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 58001360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).