(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C22H18ClNO4S — CID 2551424

IUPAC(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18ClNO4S/c23-20-10-3-1-7-18(20)15-28-22(25)17-8-5-9-19(14-17)29(26,27)24-13-12-16-6-2-4-11-21(16)24/h1-11,14H,12-13,15H2
InChIKeyNASDVISLFOGBQT-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.45
Rot. Bonds5

About (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 2551424) has the molecular formula C22H18ClNO4S and a molecular weight of 427.91 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID2551424
Molecular FormulaC22H18ClNO4S
Molecular Weight427.91 g/mol
Exact Mass427.06
IUPAC Name(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18ClNO4S/c23-20-10-3-1-7-18(20)15-28-22(25)17-8-5-9-19(14-17)29(26,27)24-13-12-16-6-2-4-11-21(16)24/h1-11,14H,12-13,15H2
InChIKeyNASDVISLFOGBQT-UHFFFAOYSA-N
XLogP4.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate 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

(2,6-dichlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406084
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
pyridin-2-ylmethyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 40711757
1,3-benzodioxol-5-ylmethyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2115188
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2103147
[2-(methylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8663402
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23932164
(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 27913355
[2-(3-bromophenyl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23960074
(2-anilino-2-oxoethyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551453
[2-(tert-butylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406740
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 2551424) is (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is O=C(OCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is NASDVISLFOGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4S/c23-20-10-3-1-7-18(20)15-28-22(25)17-8-5-9-19(14-17)29(26,27)24-13-12-16-6-2-4-11-21(16)24/h1-11,14H,12-13,15H2.
What are the key properties of (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 427.91 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2551424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).