3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one

C17H11NOS — CID 118717515

IUPAC3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESO=c1[nH]c(-c2ccccc2)cc2c1sc1ccccc12
InChIInChI=1S/C17H11NOS/c19-17-16-13(12-8-4-5-9-15(12)20-16)10-14(18-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyPAMHLAWFGRSETB-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.41
Rot. Bonds1

About 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one

3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one (PubChem CID 118717515) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one.

Molecular Properties

Compound Name3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one
PubChem CID118717515
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESO=c1[nH]c(-c2ccccc2)cc2c1sc1ccccc12
InChIInChI=1S/C17H11NOS/c19-17-16-13(12-8-4-5-9-15(12)20-16)10-14(18-17)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKeyPAMHLAWFGRSETB-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The IUPAC name of 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one (CID 118717515) is 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one.
What is the SMILES notation for 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The canonical SMILES for 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one is O=c1[nH]c(-c2ccccc2)cc2c1sc1ccccc12.
What is the InChIKey of 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The InChIKey is PAMHLAWFGRSETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-17-16-13(12-8-4-5-9-15(12)20-16)10-14(18-17)11-6-2-1-3-7-11/h1-10H,(H,18,19).
What are the key properties of 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one has a molecular weight of 277.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-[1]benzothiolo[2,3-c]pyridin-1-one is sourced from PubChem (CID 118717515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).