5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 6736913

IUPAC5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-16(10-8-11-5-3-4-9-15-11)20(17,18)13-7-6-12(14)19-13/h3-7,9H,2,8,10H2,1H3
InChIKeyFBUOCBDRBJMRKK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.16
Rot. Bonds6

About 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide

5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 6736913) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
PubChem CID6736913
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC Name5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-16(10-8-11-5-3-4-9-15-11)20(17,18)13-7-6-12(14)19-13/h3-7,9H,2,8,10H2,1H3
InChIKeyFBUOCBDRBJMRKK-UHFFFAOYSA-N
XLogP3.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide (CID 6736913) is 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide is CCN(CCc1ccccn1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is FBUOCBDRBJMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-2-16(10-8-11-5-3-4-9-15-11)20(17,18)13-7-6-12(14)19-13/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide?
5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 6736913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).