2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole

C15H12ClNS — CID 2740196

IUPAC2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole
SMILESCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12ClNS/c1-18-15-12-4-2-3-5-13(12)17-14(15)10-6-8-11(16)9-7-10/h2-9,17H,1H3
InChIKeyVLRGRBLXZHZIII-UHFFFAOYSA-N
MW273.79 g/mol
LogP5.21
Rot. Bonds2

About 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole

2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole (PubChem CID 2740196) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole
PubChem CID2740196
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole
SMILESCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12ClNS/c1-18-15-12-4-2-3-5-13(12)17-14(15)10-6-8-11(16)9-7-10/h2-9,17H,1H3
InChIKeyVLRGRBLXZHZIII-UHFFFAOYSA-N
XLogP5.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.79
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Chlorophenyl)-1H-indole
CID 220463
5-Chloro-2-methylindole
CID 70636
3-Chlorocarbazole
CID 520302
5-chloro-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 12965793
5-chloro-3-(3-chlorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 22285776
benzyl 1H-indol-2-yl sulfide
CID 1811376
1H-Indole, 2-(phenylthio)-
CID 821198
5-chloro-2-phenyl-1H-indole
CID 1481465
3,6-Dichlorocarbazole
CID 236487
6-Chloro-1,2,3,4-tetrahydrocarbazole
CID 326615
2-chloro-9H-carbazole
CID 2752388
2-(benzenesulfinylmethyl)-5-chloro-3-phenylsulfanyl-1H-indole
CID 454846

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole (CID 2740196) is 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole is CSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole?
The InChIKey is VLRGRBLXZHZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c1-18-15-12-4-2-3-5-13(12)17-14(15)10-6-8-11(16)9-7-10/h2-9,17H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole?
2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole has a molecular weight of 273.79 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methylsulfanyl-1H-indole is sourced from PubChem (CID 2740196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).