6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole

C21H15Cl2NS — CID 141328481

IUPAC6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole
SMILESCc1c(Sc2ccccc2)c2ccc(Cl)cc2n1-c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2NS/c1-14-21(25-18-8-3-2-4-9-18)19-11-10-16(23)13-20(19)24(14)17-7-5-6-15(22)12-17/h2-13H,1H3
InChIKeyPTFDTOCAEXHDSP-UHFFFAOYSA-N
MW384.33 g/mol
LogP7.40
Rot. Bonds3

About 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole

6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole (PubChem CID 141328481) has the molecular formula C21H15Cl2NS and a molecular weight of 384.33 g/mol. Its IUPAC name is 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole
PubChem CID141328481
Molecular FormulaC21H15Cl2NS
Molecular Weight384.33 g/mol
Exact Mass383.03
IUPAC Name6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole
SMILESCc1c(Sc2ccccc2)c2ccc(Cl)cc2n1-c1cccc(Cl)c1
InChIInChI=1S/C21H15Cl2NS/c1-14-21(25-18-8-3-2-4-9-18)19-11-10-16(23)13-20(19)24(14)17-7-5-6-15(22)12-17/h2-13H,1H3
InChIKeyPTFDTOCAEXHDSP-UHFFFAOYSA-N
XLogP7.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.33
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(6-chloro-2-methyl-1-phenylindol-3-yl)sulfanylbenzoate
CID 66765346
3-[6-chloro-2-methyl-1-(6-methyl-3-pyridinyl)indol-3-yl]sulfanylbenzoic acid
CID 56838028
3-[6-chloro-2-methyl-1-[1-(2-methylphenyl)pyrazol-4-yl]indol-3-yl]sulfanylbenzoic acid
CID 66764822
2-[3-[6-chloro-2-methyl-1-(5-methyl-3-pyridinyl)indol-3-yl]sulfanylphenyl]acetic acid
CID 56838461
3-[6-chloro-1-(1,3-dimethylpyrazol-4-yl)-2-methylindol-3-yl]sulfanylbenzoic acid
CID 66765613
6-chloro-1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methyl-3-(3-methylphenyl)sulfanylindole
CID 130458243
ethyl 3-[6-chloro-2-methyl-1-(1,2-thiazol-4-yl)indol-3-yl]sulfanylbenzoate
CID 66765708
methyl 3-(6-chloro-1,2-dimethylindol-3-yl)sulfanylbenzoate
CID 66764944
2-(3-chlorophenyl)-5-methyl-4-phenylsulfanyl-1H-pyrazol-3-one
CID 177493923
2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 10090285
ethyl 3-[6-chloro-1-(1-ethylpyrazol-4-yl)-2-methylindol-3-yl]sulfanylbenzoate
CID 66764946
5-chloro-1-phenyl-3-phenylsulfanylindole
CID 69091437

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole?
The IUPAC name of 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole (CID 141328481) is 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole.
What is the SMILES notation for 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole?
The canonical SMILES for 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole is Cc1c(Sc2ccccc2)c2ccc(Cl)cc2n1-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole?
The InChIKey is PTFDTOCAEXHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NS/c1-14-21(25-18-8-3-2-4-9-18)19-11-10-16(23)13-20(19)24(14)17-7-5-6-15(22)12-17/h2-13H,1H3.
What are the key properties of 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole?
6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole has a molecular weight of 384.33 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole is sourced from PubChem (CID 141328481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).