1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole

C24H29NO3S — CID 159132261

IUPAC1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(C3CC3CCC3CCOCC3)ccc21
InChIInChI=1S/C24H29NO3S/c26-29(27,22-4-2-1-3-5-22)25-13-10-21-16-19(8-9-24(21)25)23-17-20(23)7-6-18-11-14-28-15-12-18/h1-5,8-9,16,18,20,23H,6-7,10-15,17H2
InChIKeyKHAVPPVIHBWRAA-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.75
Rot. Bonds6

About 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole

1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole (PubChem CID 159132261) has the molecular formula C24H29NO3S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
PubChem CID159132261
Molecular FormulaC24H29NO3S
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC Name1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(C3CC3CCC3CCOCC3)ccc21
InChIInChI=1S/C24H29NO3S/c26-29(27,22-4-2-1-3-5-22)25-13-10-21-16-19(8-9-24(21)25)23-17-20(23)7-6-18-11-14-28-15-12-18/h1-5,8-9,16,18,20,23H,6-7,10-15,17H2
InChIKeyKHAVPPVIHBWRAA-UHFFFAOYSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-(1-phenylethyl)cyclopropan-1-amine
CID 138734639
1-(benzenesulfonyl)-5-(1-propylpiperidin-4-yl)-2,3-dihydroindole
CID 155566888
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
N-[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]-1-(1H-indol-3-yl)methanimine
CID 138734685
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 160609832
benzyl 4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453631
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole (CID 159132261) is 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2cc(C3CC3CCC3CCOCC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole?
The InChIKey is KHAVPPVIHBWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3S/c26-29(27,22-4-2-1-3-5-22)25-13-10-21-16-19(8-9-24(21)25)23-17-20(23)7-6-18-11-14-28-15-12-18/h1-5,8-9,16,18,20,23H,6-7,10-15,17H2.
What are the key properties of 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole?
1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole has a molecular weight of 411.57 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-[2-[2-(oxan-4-yl)ethyl]cyclopropyl]-2,3-dihydroindole is sourced from PubChem (CID 159132261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).