2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid

C18H16ClNO4S — CID 10407275

IUPAC2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(S(=O)(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C18H16ClNO4S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)25(23,24)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeySFZUWPLSLIVZMS-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.83
Rot. Bonds4

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

2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid (PubChem CID 10407275) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
PubChem CID10407275
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(S(=O)(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O
InChIInChI=1S/C18H16ClNO4S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)25(23,24)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeySFZUWPLSLIVZMS-UHFFFAOYSA-N
XLogP3.83
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
CID 118697828
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
1-(carboxymethyl)-3-(4-chlorophenyl)-2-methylindole-5-carboxylic acid
CID 174484175
2-[3-[3-[2-(aminomethyl)phenyl]prop-2-enylsulfonyl]-2,5-dimethylindol-1-yl]acetic acid
CID 175234917
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
2-[6-chloro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
CID 145445897
2-[5-fluoro-3-[fluoro(phenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
CID 91058598
2-[3-(4-chlorophenoxy)-2-methyl-5-methylsulfanylindol-1-yl]acetic acid
CID 68617608
2-[3-(4-chlorophenoxy)-2-methyl-5-(trifluoromethoxy)indol-1-yl]acetic acid
CID 68616764
2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 10090285
2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid
CID 21362668

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid (CID 10407275) is 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid is Cc1ccc2c(c1)c(S(=O)(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The InChIKey is SFZUWPLSLIVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)25(23,24)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid has a molecular weight of 377.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 10407275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).