2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide

C14H14BrNO2S2 — CID 61209157

IUPAC2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc2c(s1)CCC2)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S2/c15-12-5-1-2-7-14(12)20(17,18)16-9-11-8-10-4-3-6-13(10)19-11/h1-2,5,7-8,16H,3-4,6,9H2
InChIKeyUCHMJUGGMQMNDR-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.48
Rot. Bonds4

About 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide

2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61209157) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61209157
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc2c(s1)CCC2)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S2/c15-12-5-1-2-7-14(12)20(17,18)16-9-11-8-10-4-3-6-13(10)19-11/h1-2,5,7-8,16H,3-4,6,9H2
InChIKeyUCHMJUGGMQMNDR-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide (CID 61209157) is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cc2c(s1)CCC2)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is UCHMJUGGMQMNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c15-12-5-1-2-7-14(12)20(17,18)16-9-11-8-10-4-3-6-13(10)19-11/h1-2,5,7-8,16H,3-4,6,9H2.
What are the key properties of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide?
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 372.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61209157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).