5-chloro-3-phenylsulfanyl-1H-indole

C14H10ClNS — CID 2762970

IUPAC5-chloro-3-phenylsulfanyl-1H-indole
SMILESClc1ccc2[nH]cc(Sc3ccccc3)c2c1
InChIInChI=1S/C14H10ClNS/c15-10-6-7-13-12(8-10)14(9-16-13)17-11-4-2-1-3-5-11/h1-9,16H
InChIKeyCCHHXGFVRASIEZ-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.97
Rot. Bonds2

About 5-chloro-3-phenylsulfanyl-1H-indole

5-chloro-3-phenylsulfanyl-1H-indole (PubChem CID 2762970) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-3-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-phenylsulfanyl-1H-indole
PubChem CID2762970
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name5-chloro-3-phenylsulfanyl-1H-indole
SMILESClc1ccc2[nH]cc(Sc3ccccc3)c2c1
InChIInChI=1S/C14H10ClNS/c15-10-6-7-13-12(8-10)14(9-16-13)17-11-4-2-1-3-5-11/h1-9,16H
InChIKeyCCHHXGFVRASIEZ-UHFFFAOYSA-N
XLogP4.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylsulfanyl-1H-indole?
The IUPAC name of 5-chloro-3-phenylsulfanyl-1H-indole (CID 2762970) is 5-chloro-3-phenylsulfanyl-1H-indole.
What is the SMILES notation for 5-chloro-3-phenylsulfanyl-1H-indole?
The canonical SMILES for 5-chloro-3-phenylsulfanyl-1H-indole is Clc1ccc2[nH]cc(Sc3ccccc3)c2c1.
What is the InChIKey of 5-chloro-3-phenylsulfanyl-1H-indole?
The InChIKey is CCHHXGFVRASIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c15-10-6-7-13-12(8-10)14(9-16-13)17-11-4-2-1-3-5-11/h1-9,16H.
What are the key properties of 5-chloro-3-phenylsulfanyl-1H-indole?
5-chloro-3-phenylsulfanyl-1H-indole has a molecular weight of 259.76 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylsulfanyl-1H-indole is sourced from PubChem (CID 2762970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).