5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide

C9H11BrN2O3S2 — CID 104696894

IUPAC5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNC(=O)C2)sc1Br
InChIInChI=1S/C9H11BrN2O3S2/c1-5-2-8(16-9(5)10)17(14,15)12-6-3-7(13)11-4-6/h2,6,12H,3-4H2,1H3,(H,11,13)
InChIKeyKXYSNUFUSMGFIX-UHFFFAOYSA-N
MW339.24 g/mol
LogP0.99
Rot. Bonds3

About 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 104696894) has the molecular formula C9H11BrN2O3S2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
PubChem CID104696894
Molecular FormulaC9H11BrN2O3S2
Molecular Weight339.24 g/mol
Exact Mass337.94
IUPAC Name5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CNC(=O)C2)sc1Br
InChIInChI=1S/C9H11BrN2O3S2/c1-5-2-8(16-9(5)10)17(14,15)12-6-3-7(13)11-4-6/h2,6,12H,3-4H2,1H3,(H,11,13)
InChIKeyKXYSNUFUSMGFIX-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 104696903
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988314
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
CID 113347709
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide (CID 104696894) is 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CNC(=O)C2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is KXYSNUFUSMGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S2/c1-5-2-8(16-9(5)10)17(14,15)12-6-3-7(13)11-4-6/h2,6,12H,3-4H2,1H3,(H,11,13).
What are the key properties of 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 339.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104696894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).