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

C9H12BrNO2S3 — CID 103739670

IUPAC5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCSC2)sc1Br
InChIInChI=1S/C9H12BrNO2S3/c1-6-4-8(15-9(6)10)16(12,13)11-7-2-3-14-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyCXVPUZNSWLMMMX-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.60
Rot. Bonds3

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

5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide (PubChem CID 103739670) has the molecular formula C9H12BrNO2S3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
PubChem CID103739670
Molecular FormulaC9H12BrNO2S3
Molecular Weight342.31 g/mol
Exact Mass340.92
IUPAC Name5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCSC2)sc1Br
InChIInChI=1S/C9H12BrNO2S3/c1-6-4-8(15-9(6)10)16(12,13)11-7-2-3-14-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyCXVPUZNSWLMMMX-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
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
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-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide (CID 103739670) is 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCSC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is CXVPUZNSWLMMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S3/c1-6-4-8(15-9(6)10)16(12,13)11-7-2-3-14-5-7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 342.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 103739670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).