4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole

C60H73N11O7S3 — CID 159768987

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CCN(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cccc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H21N3O2S.C14H17N3O.C14H18N2O2S.C13H17N3O2S/c23-25(24,15-16-5-2-1-3-6-16)22-13-11-21(12-14-22)19-8-4-7-18-17(19)9-10-20-18;1-11(18)16-7-9-17(10-8-16)14-4-2-3-13-12(14)5-6-15-13;1-19(17,18)16-9-6-11(7-10-16)12-3-2-4-14-13(12)5-8-15-14;1-19(17,18)16-9-7-15(8-10-16)13-4-2-3-12-11(13)5-6-14-12/h1-10,20H,11-15H2;2-6,15H,7-10H2,1H3;2-5,8,11,15H,6-7,9-10H2,1H3;2-6,14H,7-10H2,1H3
InChIKeyNFWHJAFKPWHGLJ-UHFFFAOYSA-N
MW1156.51 g/mol
LogP8.21
Rot. Bonds9

About 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole

4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 159768987) has the molecular formula C60H73N11O7S3 and a molecular weight of 1156.51 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID159768987
Molecular FormulaC60H73N11O7S3
Molecular Weight1156.51 g/mol
Exact Mass1155.49
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CCN(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cccc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H21N3O2S.C14H17N3O.C14H18N2O2S.C13H17N3O2S/c23-25(24,15-16-5-2-1-3-6-16)22-13-11-21(12-14-22)19-8-4-7-18-17(19)9-10-20-18;1-11(18)16-7-9-17(10-8-16)14-4-2-3-13-12(14)5-6-15-13;1-19(17,18)16-9-6-11(7-10-16)12-3-2-4-14-13(12)5-8-15-14;1-19(17,18)16-9-7-15(8-10-16)13-4-2-3-12-11(13)5-6-14-12/h1-10,20H,11-15H2;2-6,15H,7-10H2,1H3;2-5,8,11,15H,6-7,9-10H2,1H3;2-6,14H,7-10H2,1H3
InChIKeyNFWHJAFKPWHGLJ-UHFFFAOYSA-N
XLogP8.21
TPSA205.33 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.51
LogP ≤ 58.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole with MolForge

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Related Compounds

6-fluoro-3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157312238
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
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
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159067168
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159121753
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
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
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159992631
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 160524766
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
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 160850891
N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 162050525

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 159768987) is 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole is CC(=O)N1CCN(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cccc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cccc3[nH]ccc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is NFWHJAFKPWHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C14H17N3O.C14H18N2O2S.C13H17N3O2S/c23-25(24,15-16-5-2-1-3-6-16)22-13-11-21(12-14-22)19-8-4-7-18-17(19)9-10-20-18;1-11(18)16-7-9-17(10-8-16)14-4-2-3-13-12(14)5-6-15-13;1-19(17,18)16-9-6-11(7-10-16)12-3-2-4-14-13(12)5-8-15-14;1-19(17,18)16-9-7-15(8-10-16)13-4-2-3-12-11(13)5-6-14-12/h1-10,20H,11-15H2;2-6,15H,7-10H2,1H3;2-5,8,11,15H,6-7,9-10H2,1H3;2-6,14H,7-10H2,1H3.
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole?
4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1156.51 g/mol, XLogP of 8.21, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 159768987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).