5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide

C11H17BrN2O2S2 — CID 22772584

IUPAC5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-14-7-5-9(6-8-14)13-18(15,16)11-4-3-10(12)17-11/h3-4,9,13H,2,5-8H2,1H3
InChIKeyKUNBQLCNVVJQMG-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide

5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 22772584) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID22772584
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2O2S2/c1-2-14-7-5-9(6-8-14)13-18(15,16)11-4-3-10(12)17-11/h3-4,9,13H,2,5-8H2,1H3
InChIKeyKUNBQLCNVVJQMG-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide (CID 22772584) is 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide is CCN1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is KUNBQLCNVVJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-2-14-7-5-9(6-8-14)13-18(15,16)11-4-3-10(12)17-11/h3-4,9,13H,2,5-8H2,1H3.
What are the key properties of 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22772584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).