5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide

C7H10BrNO3S2 — CID 19681765

IUPAC5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO3S2/c1-12-5-4-9-14(10,11)7-3-2-6(8)13-7/h2-3,9H,4-5H2,1H3
InChIKeyPYCGQWFPDBYUIL-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.44
Rot. Bonds5

About 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide

5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide (PubChem CID 19681765) has the molecular formula C7H10BrNO3S2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide
PubChem CID19681765
Molecular FormulaC7H10BrNO3S2
Molecular Weight300.20 g/mol
Exact Mass298.93
IUPAC Name5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNO3S2/c1-12-5-4-9-14(10,11)7-3-2-6(8)13-7/h2-3,9H,4-5H2,1H3
InChIKeyPYCGQWFPDBYUIL-UHFFFAOYSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide (CID 19681765) is 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide is COCCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The InChIKey is PYCGQWFPDBYUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO3S2/c1-12-5-4-9-14(10,11)7-3-2-6(8)13-7/h2-3,9H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide?
5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide has a molecular weight of 300.20 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 19681765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).