N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

C21H22Cl2N2O4S — CID 19164445

IUPACN-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C21H22Cl2N2O4S/c22-15-5-8-20(18(23)12-15)29-13-21(26)25-10-9-14-11-17(6-7-19(14)25)30(27,28)24-16-3-1-2-4-16/h5-8,11-12,16,24H,1-4,9-10,13H2
InChIKeyYPLOICSXZFNXGO-UHFFFAOYSA-N
MW469.39 g/mol
LogP4.18
Rot. Bonds6

About N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 19164445) has the molecular formula C21H22Cl2N2O4S and a molecular weight of 469.39 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID19164445
Molecular FormulaC21H22Cl2N2O4S
Molecular Weight469.39 g/mol
Exact Mass468.07
IUPAC NameN-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C21H22Cl2N2O4S/c22-15-5-8-20(18(23)12-15)29-13-21(26)25-10-9-14-11-17(6-7-19(14)25)30(27,28)24-16-3-1-2-4-16/h5-8,11-12,16,24H,1-4,9-10,13H2
InChIKeyYPLOICSXZFNXGO-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
1-[2-(2,4-dichlorophenoxy)acetyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853257
3-chloro-N-cyclohexyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide
CID 1254813
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
CID 133239031

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 19164445) is N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is O=C(COc1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YPLOICSXZFNXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4S/c22-15-5-8-20(18(23)12-15)29-13-21(26)25-10-9-14-11-17(6-7-19(14)25)30(27,28)24-16-3-1-2-4-16/h5-8,11-12,16,24H,1-4,9-10,13H2.
What are the key properties of N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 469.39 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 19164445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).