4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide

C8H11Br2NO3S2 — CID 3742599

IUPAC4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NO3S2/c1-11(3-4-14-2)16(12,13)7-5-6(9)8(10)15-7/h5H,3-4H2,1-2H3
InChIKeyBHAIJVZYVPUXBA-UHFFFAOYSA-N
MW393.12 g/mol
LogP2.54
Rot. Bonds5

About 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide

4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 3742599) has the molecular formula C8H11Br2NO3S2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
PubChem CID3742599
Molecular FormulaC8H11Br2NO3S2
Molecular Weight393.12 g/mol
Exact Mass390.85
IUPAC Name4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H11Br2NO3S2/c1-11(3-4-14-2)16(12,13)7-5-6(9)8(10)15-7/h5H,3-4H2,1-2H3
InChIKeyBHAIJVZYVPUXBA-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide (CID 3742599) is 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide is COCCN(C)S(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is BHAIJVZYVPUXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NO3S2/c1-11(3-4-14-2)16(12,13)7-5-6(9)8(10)15-7/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide?
4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 393.12 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 3742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).