2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

C22H20ClN3O4S — CID 1252473

IUPAC2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccccn1
InChIInChI=1S/C22H20ClN3O4S/c23-19-13-18(31(28,29)26-12-10-16-5-1-2-7-20(16)26)8-9-21(19)30-15-22(27)25-14-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14-15H2,(H,25,27)
InChIKeyVJTIDELFKCJLRG-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1252473) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1252473
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccccn1
InChIInChI=1S/C22H20ClN3O4S/c23-19-13-18(31(28,29)26-12-10-16-5-1-2-7-20(16)26)8-9-21(19)30-15-22(27)25-14-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14-15H2,(H,25,27)
InChIKeyVJTIDELFKCJLRG-UHFFFAOYSA-N
XLogP3.18
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-{[(2-methylphenyl)amino]sulfonyl}phenoxy)-N-(2-pyridinylmethyl)acetamide
CID 2222616
2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 2229473
2-(4-{[(2-methylphenyl)amino]sulfonyl}phenoxy)-N-(3-pyridinylmethyl)acetamide
CID 2711914
2-{4-[(4-methylphenyl)sulfamoyl]phenoxy}-N-(pyridin-2-ylmethyl)acetamide
CID 2712261
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3161901
1-(3-Chloro-4-ethoxybenzenesulfonyl)-N-[(pyridin-2-YL)methyl]piperidine-3-carboxamide
CID 6495107
2-[4-(1-Phenyl-ethylsulfamoyl)-phenoxy]-N-pyridin-2-ylmethyl-acetamide
CID 2947450
2-[(3-Chloro-4-ethoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-2-ylmethyl-acetamide
CID 6493542
2-(4-Benzylsulfamoyl-2-chloro-phenoxy)-N-pyridin-4-ylmethyl-acetamide
CID 1007895
2-(4-Benzylsulfamoyl-2-chloro-phenoxy)-N-pyridin-2-ylmethyl-acetamide
CID 1090581
2-[4-(Benzyl-methyl-sulfamoyl)-phenoxy]-N-pyridin-2-ylmethyl-acetamide
CID 1092874
2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(3-pyridinylmethyl)acetamide
CID 1093379

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (CID 1252473) is 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccccn1.
What is the InChIKey of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VJTIDELFKCJLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-19-13-18(31(28,29)26-12-10-16-5-1-2-7-20(16)26)8-9-21(19)30-15-22(27)25-14-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14-15H2,(H,25,27).
What are the key properties of 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 457.94 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1252473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).