(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

C17H16N2O5S — CID 70189180

IUPAC(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H16N2O5S/c1-11(20)18-13-6-8-14(9-7-13)25(23,24)19-15-5-3-2-4-12(15)10-16(19)17(21)22/h2-9,16H,10H2,1H3,(H,18,20)(H,21,22)/t16-/m1/s1
InChIKeyGOLMDYICQCEUEH-MRXNPFEDSA-N
MW360.39 g/mol
LogP1.85
Rot. Bonds4

About (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 70189180) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID70189180
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H16N2O5S/c1-11(20)18-13-6-8-14(9-7-13)25(23,24)19-15-5-3-2-4-12(15)10-16(19)17(21)22/h2-9,16H,10H2,1H3,(H,18,20)(H,21,22)/t16-/m1/s1
InChIKeyGOLMDYICQCEUEH-MRXNPFEDSA-N
XLogP1.85
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(2S)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66845811
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 70189180) is (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is GOLMDYICQCEUEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11(20)18-13-6-8-14(9-7-13)25(23,24)19-15-5-3-2-4-12(15)10-16(19)17(21)22/h2-9,16H,10H2,1H3,(H,18,20)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 70189180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).