1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole

C19H22N2O2S — CID 155545832

IUPAC1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(C3CCNCC3)cccc21
InChIInChI=1S/C19H22N2O2S/c22-24(23,16-5-2-1-3-6-16)21-14-11-18-17(7-4-8-19(18)21)15-9-12-20-13-10-15/h1-8,15,20H,9-14H2
InChIKeyVBNRHTPJXKANLL-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.90
Rot. Bonds3

About 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole

1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole (PubChem CID 155545832) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole
PubChem CID155545832
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(C3CCNCC3)cccc21
InChIInChI=1S/C19H22N2O2S/c22-24(23,16-5-2-1-3-6-16)21-14-11-18-17(7-4-8-19(18)21)15-9-12-20-13-10-15/h1-8,15,20H,9-14H2
InChIKeyVBNRHTPJXKANLL-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
2-[3-(4-Phenyl-piperidin-1-yl)-propyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580033
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
2-(Benzenesulfonyl)-4-piperidin-4-yl-1,3-dihydroisoindole
CID 155557005
5-(2-fluorophenyl)sulfonyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 16304086
4-(3-Cyclohexen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 619328
4-Butyl-N-(2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425698
4-Butyl-N-(2-methyl-2,3-dihydro-1H-isoindol-5-yl)benzene-1-sulfonamide
CID 44425699
1-(Benzenesulfonyl)-2,3,4,6,7,8,9,10-octahydropyrido[3,2-h][3]benzazepine
CID 44579183
1-(Benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole
CID 71163244
2-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 132240603

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole (CID 155545832) is 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2c(C3CCNCC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole?
The InChIKey is VBNRHTPJXKANLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-24(23,16-5-2-1-3-6-16)21-14-11-18-17(7-4-8-19(18)21)15-9-12-20-13-10-15/h1-8,15,20H,9-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole?
1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole has a molecular weight of 342.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperidin-4-yl-2,3-dihydroindole is sourced from PubChem (CID 155545832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).