1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C23H21ClN2O4S — CID 42922267

IUPAC1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C23H21ClN2O4S/c1-15-11-18-12-19(31(25,28)29)8-9-21(18)26(15)23(27)14-30-22-10-7-17(13-20(22)24)16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H2,25,28,29)
InChIKeyKINRRCWITLICOV-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 42922267) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID42922267
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C23H21ClN2O4S/c1-15-11-18-12-19(31(25,28)29)8-9-21(18)26(15)23(27)14-30-22-10-7-17(13-20(22)24)16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H2,25,28,29)
InChIKeyKINRRCWITLICOV-UHFFFAOYSA-N
XLogP4.01
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
CID 133239031
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 51567928
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55450124
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23960161
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 42922267) is 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KINRRCWITLICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-15-11-18-12-19(31(25,28)29)8-9-21(18)26(15)23(27)14-30-22-10-7-17(13-20(22)24)16-5-3-2-4-6-16/h2-10,12-13,15H,11,14H2,1H3,(H2,25,28,29).
What are the key properties of 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 456.95 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 42922267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).