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

C9H11BrN2O3S2 — CID 104696903

IUPAC5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H11BrN2O3S2/c1-5-7(3-8(10)16-5)17(14,15)12-6-2-9(13)11-4-6/h3,6,12H,2,4H2,1H3,(H,11,13)
InChIKeyPYTNTUGDFKFPAM-UHFFFAOYSA-N
MW339.24 g/mol
LogP0.99
Rot. Bonds3

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

5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide (PubChem CID 104696903) has the molecular formula C9H11BrN2O3S2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
PubChem CID104696903
Molecular FormulaC9H11BrN2O3S2
Molecular Weight339.24 g/mol
Exact Mass337.94
IUPAC Name5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C9H11BrN2O3S2/c1-5-7(3-8(10)16-5)17(14,15)12-6-2-9(13)11-4-6/h3,6,12H,2,4H2,1H3,(H,11,13)
InChIKeyPYTNTUGDFKFPAM-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-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
5-bromo-2-methyl-N-(1-oxothian-4-yl)thiophene-3-sulfonamide
CID 104600176
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
4-bromo-2-nitro-N-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 97307622
4-chloro-2-methyl-5-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696881

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide (CID 104696903) is 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
The InChIKey is PYTNTUGDFKFPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S2/c1-5-7(3-8(10)16-5)17(14,15)12-6-2-9(13)11-4-6/h3,6,12H,2,4H2,1H3,(H,11,13).
What are the key properties of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-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-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 104696903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).