5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide

C12H20BrNO4S2 — CID 3827966

IUPAC5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO4S2/c1-3-17-9-7-14(8-10-18-4-2)20(15,16)12-6-5-11(13)19-12/h5-6H,3-4,7-10H2,1-2H3
InChIKeyUKZFNSXMXXVJIE-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.57
Rot. Bonds10

About 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide

5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide (PubChem CID 3827966) has the molecular formula C12H20BrNO4S2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide
PubChem CID3827966
Molecular FormulaC12H20BrNO4S2
Molecular Weight386.33 g/mol
Exact Mass385.00
IUPAC Name5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO4S2/c1-3-17-9-7-14(8-10-18-4-2)20(15,16)12-6-5-11(13)19-12/h5-6H,3-4,7-10H2,1-2H3
InChIKeyUKZFNSXMXXVJIE-UHFFFAOYSA-N
XLogP2.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide (CID 3827966) is 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide?
The InChIKey is UKZFNSXMXXVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO4S2/c1-3-17-9-7-14(8-10-18-4-2)20(15,16)12-6-5-11(13)19-12/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide?
5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide has a molecular weight of 386.33 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3827966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).