5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C10H13BrN2O3S2 — CID 3237147

IUPAC5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCCC1
InChIInChI=1S/C10H13BrN2O3S2/c11-8-3-4-10(17-8)18(15,16)12-7-9(14)13-5-1-2-6-13/h3-4,12H,1-2,5-7H2
InChIKeyYFADDZBVQYUEMH-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.41
Rot. Bonds4

About 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 3237147) has the molecular formula C10H13BrN2O3S2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID3237147
Molecular FormulaC10H13BrN2O3S2
Molecular Weight353.26 g/mol
Exact Mass351.96
IUPAC Name5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCCC1
InChIInChI=1S/C10H13BrN2O3S2/c11-8-3-4-10(17-8)18(15,16)12-7-9(14)13-5-1-2-6-13/h3-4,12H,1-2,5-7H2
InChIKeyYFADDZBVQYUEMH-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 3237147) is 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCCC1.
What is the InChIKey of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is YFADDZBVQYUEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S2/c11-8-3-4-10(17-8)18(15,16)12-7-9(14)13-5-1-2-6-13/h3-4,12H,1-2,5-7H2.
What are the key properties of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 353.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3237147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).