1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole

C22H29N3O3S — CID 22058044

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
SMILESCOc1ccccc1N1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H29N3O3S/c1-28-22-10-5-4-9-21(22)24-16-14-23(15-17-24)12-6-18-29(26,27)25-13-11-19-7-2-3-8-20(19)25/h2-5,7-10H,6,11-18H2,1H3
InChIKeyXFVNUOJIOPDLHM-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.60
Rot. Bonds7

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole (PubChem CID 22058044) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
PubChem CID22058044
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
SMILESCOc1ccccc1N1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H29N3O3S/c1-28-22-10-5-4-9-21(22)24-16-14-23(15-17-24)12-6-18-29(26,27)25-13-11-19-7-2-3-8-20(19)25/h2-5,7-10H,6,11-18H2,1H3
InChIKeyXFVNUOJIOPDLHM-UHFFFAOYSA-N
XLogP2.60
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
CID 22058070
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 56690048

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole (CID 22058044) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole is COc1ccccc1N1CCN(CCCS(=O)(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole?
The InChIKey is XFVNUOJIOPDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-28-22-10-5-4-9-21(22)24-16-14-23(15-17-24)12-6-18-29(26,27)25-13-11-19-7-2-3-8-20(19)25/h2-5,7-10H,6,11-18H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole has a molecular weight of 415.56 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 22058044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).