1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid

C17H14ClNO4S — CID 126802773

IUPAC1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C17H14ClNO4S/c18-14-7-3-1-5-12(14)9-10-24(22,23)19-15-8-4-2-6-13(15)11-16(19)17(20)21/h1-10,16H,11H2,(H,20,21)
InChIKeyNOFPCBQWNWGTHE-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 126802773) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID126802773
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC Name1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C17H14ClNO4S/c18-14-7-3-1-5-12(14)9-10-24(22,23)19-15-8-4-2-6-13(15)11-16(19)17(20)21/h1-10,16H,11H2,(H,20,21)
InChIKeyNOFPCBQWNWGTHE-UHFFFAOYSA-N
XLogP3.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid
CID 138044058
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43097620
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104977885
(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 100855396
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 174407664
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
CID 6212461
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid (CID 126802773) is 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is NOFPCBQWNWGTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c18-14-7-3-1-5-12(14)9-10-24(22,23)19-15-8-4-2-6-13(15)11-16(19)17(20)21/h1-10,16H,11H2,(H,20,21).
What are the key properties of 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 363.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 126802773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).