5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide

C11H15BrN2O3S2 — CID 6467494

IUPAC5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O3S2/c12-9-4-5-11(18-9)19(16,17)13-6-2-8-14-7-1-3-10(14)15/h4-5,13H,1-3,6-8H2
InChIKeyZHCGTMURKAROSA-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.80
Rot. Bonds6

About 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide

5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 6467494) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID6467494
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC Name5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O3S2/c12-9-4-5-11(18-9)19(16,17)13-6-2-8-14-7-1-3-10(14)15/h4-5,13H,1-3,6-8H2
InChIKeyZHCGTMURKAROSA-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.80
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-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide (CID 6467494) is 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is ZHCGTMURKAROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c12-9-4-5-11(18-9)19(16,17)13-6-2-8-14-7-1-3-10(14)15/h4-5,13H,1-3,6-8H2.
What are the key properties of 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide?
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 367.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6467494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).