2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole

C15H12ClNS — CID 138983413

IUPAC2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
SMILESCc1c(Sc2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12ClNS/c1-10-13-4-2-3-5-14(13)17-15(10)18-12-8-6-11(16)7-9-12/h2-9,17H,1H3
InChIKeyAARIFTYWAYRIAI-UHFFFAOYSA-N
MW273.79 g/mol
LogP5.28
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole

2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole (PubChem CID 138983413) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
PubChem CID138983413
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
SMILESCc1c(Sc2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C15H12ClNS/c1-10-13-4-2-3-5-14(13)17-15(10)18-12-8-6-11(16)7-9-12/h2-9,17H,1H3
InChIKeyAARIFTYWAYRIAI-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene
CID 71741127
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
CID 11779398
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
CID 154707679
4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
CID 121004885
2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
CID 102323349
5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
CID 56683455
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11266568

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole (CID 138983413) is 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole is Cc1c(Sc2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole?
The InChIKey is AARIFTYWAYRIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c1-10-13-4-2-3-5-14(13)17-15(10)18-12-8-6-11(16)7-9-12/h2-9,17H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole?
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole has a molecular weight of 273.79 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole is sourced from PubChem (CID 138983413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).