2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid

C17H13Cl2NO2S — CID 10090285

IUPAC2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-7-4-12(19)8-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyYSBNMIAQDHUQBL-UHFFFAOYSA-N
MW366.27 g/mol
LogP5.49
Rot. Bonds4

About 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid

2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid (PubChem CID 10090285) has the molecular formula C17H13Cl2NO2S and a molecular weight of 366.27 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
PubChem CID10090285
Molecular FormulaC17H13Cl2NO2S
Molecular Weight366.27 g/mol
Exact Mass365.00
IUPAC Name2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-7-4-12(19)8-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
InChIKeyYSBNMIAQDHUQBL-UHFFFAOYSA-N
XLogP5.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.27
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562
2-[3-(4-chlorophenyl)sulfanyl-2-methylpyrrolo[3,2-b]pyridin-1-yl]acetic acid
CID 11573514
2-[4-(benzylamino)-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 141369830
3-[6-chloro-2-methyl-1-(pyridin-4-ylmethyl)indol-3-yl]sulfanylbenzoic acid
CID 56837600
2-[6-chloro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
CID 145445897
6-chloro-1-(3-chlorophenyl)-2-methyl-3-phenylsulfanylindole
CID 141328481
2-[3-(4-chlorophenoxy)-2-methyl-5-methylsulfanylindol-1-yl]acetic acid
CID 68617608
2-[3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonylindol-1-yl]acetic acid
CID 21077815
2-[6-chloro-2-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-3-yl]indol-1-yl]acetic acid
CID 138662597
2-[6-chloro-3-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)-2-methylindol-1-yl]acetic acid
CID 138662377
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid
CID 66651797
3-(4-chlorophenyl)sulfanyl-1,5-dimethylindole-2-carboxylic acid
CID 71625032

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid (CID 10090285) is 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid is Cc1c(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O.
What is the InChIKey of 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The InChIKey is YSBNMIAQDHUQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-7-4-12(19)8-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid has a molecular weight of 366.27 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 10090285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).