2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone

C14H13NO3S2 — CID 25023810

IUPAC2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H13NO3S2/c1-20(17,18)13-7-6-12(19-13)14(16)15-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9H2,1H3
InChIKeyTXURGPYCGHPNBT-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.35
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone

2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone (PubChem CID 25023810) has the molecular formula C14H13NO3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone
PubChem CID25023810
Molecular FormulaC14H13NO3S2
Molecular Weight307.40 g/mol
Exact Mass307.03
IUPAC Name2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H13NO3S2/c1-20(17,18)13-7-6-12(19-13)14(16)15-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9H2,1H3
InChIKeyTXURGPYCGHPNBT-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone (CID 25023810) is 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone?
The InChIKey is TXURGPYCGHPNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S2/c1-20(17,18)13-7-6-12(19-13)14(16)15-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone?
2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone has a molecular weight of 307.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(5-methylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 25023810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).