1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

C18H16ClNO4S — CID 174407664

IUPAC1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C(C=CCl)c1ccccc1
InChIInChI=1S/C18H16ClNO4S/c19-11-10-17(13-6-2-1-3-7-13)25(23,24)20-15-9-5-4-8-14(15)12-16(20)18(21)22/h1-11,16-17H,12H2,(H,21,22)
InChIKeyQUJDFMQGZBDISF-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.33
Rot. Bonds5

About 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174407664) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID174407664
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C(C=CCl)c1ccccc1
InChIInChI=1S/C18H16ClNO4S/c19-11-10-17(13-6-2-1-3-7-13)25(23,24)20-15-9-5-4-8-14(15)12-16(20)18(21)22/h1-11,16-17H,12H2,(H,21,22)
InChIKeyQUJDFMQGZBDISF-UHFFFAOYSA-N
XLogP3.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 174407664) is 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)C(C=CCl)c1ccccc1.
What is the InChIKey of 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QUJDFMQGZBDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c19-11-10-17(13-6-2-1-3-7-13)25(23,24)20-15-9-5-4-8-14(15)12-16(20)18(21)22/h1-11,16-17H,12H2,(H,21,22).
What are the key properties of 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid?
1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 377.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174407664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).