(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone

C16H12ClNOS — CID 79215184

IUPAC(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClNOS/c1-20-15-5-3-2-4-11(15)16(19)13-9-18-14-7-6-10(17)8-12(13)14/h2-9,18H,1H3
InChIKeyGGRLFWUGZXAHQG-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.77
Rot. Bonds3

About (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone

(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone (PubChem CID 79215184) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
PubChem CID79215184
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClNOS/c1-20-15-5-3-2-4-11(15)16(19)13-9-18-14-7-6-10(17)8-12(13)14/h2-9,18H,1H3
InChIKeyGGRLFWUGZXAHQG-UHFFFAOYSA-N
XLogP4.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
CID 79214624
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone (CID 79215184) is (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is GGRLFWUGZXAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-20-15-5-3-2-4-11(15)16(19)13-9-18-14-7-6-10(17)8-12(13)14/h2-9,18H,1H3.
What are the key properties of (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone?
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 301.80 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).