3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole

C67H86N8O9S4 — CID 158857658

IUPAC3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N2O2S.C16H22N2O3S.2C16H22N2O2S/c22-24(23,16-6-2-1-3-7-16)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19;1-21-10-11-22(19,20)18-8-6-13(7-9-18)15-12-17-16-5-3-2-4-14(15)16;1-12(2)21(19,20)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16;1-2-11-21(19,20)18-9-7-13(8-10-18)15-12-17-16-6-4-3-5-14(15)16/h1-9,14-15,20H,10-13H2;2-5,12-13,17H,6-11H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;3-6,12-13,17H,2,7-11H2,1H3
InChIKeyJAGJHPUBAHQZRR-UHFFFAOYSA-N
MW1275.74 g/mol
LogP12.23
Rot. Bonds15

About 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole

3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 158857658) has the molecular formula C67H86N8O9S4 and a molecular weight of 1275.74 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID158857658
Molecular FormulaC67H86N8O9S4
Molecular Weight1275.74 g/mol
Exact Mass1274.54
IUPAC Name3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N2O2S.C16H22N2O3S.2C16H22N2O2S/c22-24(23,16-6-2-1-3-7-16)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19;1-21-10-11-22(19,20)18-8-6-13(7-9-18)15-12-17-16-5-3-2-4-14(15)16;1-12(2)21(19,20)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16;1-2-11-21(19,20)18-9-7-13(8-10-18)15-12-17-16-6-4-3-5-14(15)16/h1-9,14-15,20H,10-13H2;2-5,12-13,17H,6-11H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;3-6,12-13,17H,2,7-11H2,1H3
InChIKeyJAGJHPUBAHQZRR-UHFFFAOYSA-N
XLogP12.23
TPSA221.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.74
LogP ≤ 512.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole with MolForge

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Related Compounds

Tmpyp
CID 135442972
Tetrakis(4-methylbenzenesulfonate);5,10,15,20-tetrakis(3-fluoro-1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 44281637
5-[4-[1-(Benzenesulfonyl)indol-3-yl]phenyl]-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin trichloride
CID 135860205
tetrakis(N-ethylpyridinium-4-yl)porphyrin tetratosylate
CID 155898869
Tetrakis(4-methylbenzenesulfonate);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 11979833
4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indole;4-(1H-indol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indole
CID 157683829
3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
CID 158226193
benzyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-lambda6-sulfane;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 159495100
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;bis((1S)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline);(1R)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 160390965
3-[1-(benzenesulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;3-[1-(1,1-difluoroethylsulfonyl)piperidin-4-yl]-6-fluoro-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;N-[[4-(1H-indol-3-yl)piperazin-1-yl]-methylidene-oxo-lambda6-sulfanyl]methanamine
CID 160538619
[4-(6-fluoro-2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(2-methoxyethyl)-methylidene-oxo-lambda6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-(1-methylpyrazol-4-yl)-oxo-lambda6-sulfane;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-(2,2,2-trifluoroethyl)-lambda6-sulfane
CID 161026482
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1S)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline;(1R)-1-(1H-indol-3-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 162155237

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole (CID 158857658) is 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole is CC(C)S(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is JAGJHPUBAHQZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S.C16H22N2O3S.2C16H22N2O2S/c22-24(23,16-6-2-1-3-7-16)21-12-10-15(11-13-21)18-14-20-19-9-5-4-8-17(18)19;1-21-10-11-22(19,20)18-8-6-13(7-9-18)15-12-17-16-5-3-2-4-14(15)16;1-12(2)21(19,20)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16;1-2-11-21(19,20)18-9-7-13(8-10-18)15-12-17-16-6-4-3-5-14(15)16/h1-9,14-15,20H,10-13H2;2-5,12-13,17H,6-11H2,1H3;3-6,11-13,17H,7-10H2,1-2H3;3-6,12-13,17H,2,7-11H2,1H3.
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole?
3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1275.74 g/mol, XLogP of 12.23, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-4-yl]-1H-indole;3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;3-(1-propylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 158857658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).