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

C15H16BrNO2S2 — CID 61209155

IUPAC2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3c(s2)CCC3)c(Br)c1
InChIInChI=1S/C15H16BrNO2S2/c1-10-5-6-15(13(16)7-10)21(18,19)17-9-12-8-11-3-2-4-14(11)20-12/h5-8,17H,2-4,9H2,1H3
InChIKeyBIIJECFPUXQRGJ-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.79
Rot. Bonds4

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

2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 61209155) has the molecular formula C15H16BrNO2S2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID61209155
Molecular FormulaC15H16BrNO2S2
Molecular Weight386.34 g/mol
Exact Mass384.98
IUPAC Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3c(s2)CCC3)c(Br)c1
InChIInChI=1S/C15H16BrNO2S2/c1-10-5-6-15(13(16)7-10)21(18,19)17-9-12-8-11-3-2-4-14(11)20-12/h5-8,17H,2-4,9H2,1H3
InChIKeyBIIJECFPUXQRGJ-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide (CID 61209155) is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc3c(s2)CCC3)c(Br)c1.
What is the InChIKey of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is BIIJECFPUXQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S2/c1-10-5-6-15(13(16)7-10)21(18,19)17-9-12-8-11-3-2-4-14(11)20-12/h5-8,17H,2-4,9H2,1H3.
What are the key properties of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 386.34 g/mol, XLogP of 3.79, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61209155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).