2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid

C18H13ClN2O4S — CID 11338250

IUPAC2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(C#N)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4S/c1-11-15(9-18(22)23)16-8-12(10-20)2-7-17(16)21(11)26(24,25)14-5-3-13(19)4-6-14/h2-8H,9H2,1H3,(H,22,23)
InChIKeyOXUMLKRFKRQTQA-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid

2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid (PubChem CID 11338250) has the molecular formula C18H13ClN2O4S and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid
PubChem CID11338250
Molecular FormulaC18H13ClN2O4S
Molecular Weight388.83 g/mol
Exact Mass388.03
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(C#N)ccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O4S/c1-11-15(9-18(22)23)16-8-12(10-20)2-7-17(16)21(11)26(24,25)14-5-3-13(19)4-6-14/h2-8H,9H2,1H3,(H,22,23)
InChIKeyOXUMLKRFKRQTQA-UHFFFAOYSA-N
XLogP3.34
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-fluoro-2-methyl-1-(4-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid
CID 11407637
2-[5-fluoro-2,6-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylindol-3-yl]acetic acid
CID 143414501
2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid
CID 11198842
2-[5-fluoro-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylindol-3-yl]acetic acid
CID 11352062
2-[5-fluoro-2-methyl-1-[4-[(5-methyl-3-pyridinyl)amino]phenyl]sulfonylindol-3-yl]acetic acid
CID 91233530
2-[5-fluoro-2-methyl-1-[4-(1,2-oxazol-3-ylamino)phenyl]sulfonylindol-3-yl]acetic acid
CID 11464546
2-[1-(5-chloro-2-cyanophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219800
2-[1-(4-cyano-3-methylphenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 67219328
2-[1-[3-(dimethylcarbamoyl)phenyl]sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
CID 11339083
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
2-[5-fluoro-2-methyl-1-[4-(1,2-oxazol-3-ylmethylamino)phenyl]sulfonylindol-3-yl]acetic acid
CID 90727665
2-[5-fluoro-2-methyl-1-[4-[methyl(1,3-thiazol-2-yl)amino]phenyl]sulfonylindol-3-yl]acetic acid
CID 91113852

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid (CID 11338250) is 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(C#N)ccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid?
The InChIKey is OXUMLKRFKRQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4S/c1-11-15(9-18(22)23)16-8-12(10-20)2-7-17(16)21(11)26(24,25)14-5-3-13(19)4-6-14/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid?
2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid has a molecular weight of 388.83 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 11338250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).