(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone

C15H10ClF2NO2S2 — CID 141206635

IUPAC(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone
SMILESCc1cc2c(Cl)c(O)ccc2n1C(=O)c1csc(SC(F)F)c1
InChIInChI=1S/C15H10ClF2NO2S2/c1-7-4-9-10(2-3-11(20)13(9)16)19(7)14(21)8-5-12(22-6-8)23-15(17)18/h2-6,15,20H,1H3
InChIKeyYBHRZWNZYMSPIM-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.37
Rot. Bonds3

About (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone

(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone (PubChem CID 141206635) has the molecular formula C15H10ClF2NO2S2 and a molecular weight of 373.83 g/mol. Its IUPAC name is (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone
PubChem CID141206635
Molecular FormulaC15H10ClF2NO2S2
Molecular Weight373.83 g/mol
Exact Mass372.98
IUPAC Name(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone
SMILESCc1cc2c(Cl)c(O)ccc2n1C(=O)c1csc(SC(F)F)c1
InChIInChI=1S/C15H10ClF2NO2S2/c1-7-4-9-10(2-3-11(20)13(9)16)19(7)14(21)8-5-12(22-6-8)23-15(17)18/h2-6,15,20H,1H3
InChIKeyYBHRZWNZYMSPIM-UHFFFAOYSA-N
XLogP5.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone?
The IUPAC name of (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone (CID 141206635) is (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone.
What is the SMILES notation for (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone?
The canonical SMILES for (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone is Cc1cc2c(Cl)c(O)ccc2n1C(=O)c1csc(SC(F)F)c1.
What is the InChIKey of (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone?
The InChIKey is YBHRZWNZYMSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2S2/c1-7-4-9-10(2-3-11(20)13(9)16)19(7)14(21)8-5-12(22-6-8)23-15(17)18/h2-6,15,20H,1H3.
What are the key properties of (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone?
(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone has a molecular weight of 373.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone is sourced from PubChem (CID 141206635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).