6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide

C57H74Cl4N12O8S4 — CID 158134378

IUPAC6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CNS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/2C15H20ClN3O2S.C14H18ClN3O2S.C13H16ClN3O2S/c1-18(2)22(20,21)19-7-4-11(5-8-19)14-9-12(16)10-15-13(14)3-6-17-15;1-15(2)10-18(6-7-19(15)22(3,20)21)14-9-11(16)8-13-12(14)4-5-17-13;1-16-21(19,20)18-6-3-10(4-7-18)13-8-11(15)9-14-12(13)2-5-17-14;14-10-7-12(11-1-4-16-13(11)8-10)9-2-5-17(6-3-9)20(15,18)19/h3,6,9-11,17H,4-5,7-8H2,1-2H3;4-5,8-9,17H,6-7,10H2,1-3H3;2,5,8-10,16-17H,3-4,6-7H2,1H3;1,4,7-9,16H,2-3,5-6H2,(H2,15,18,19)
InChIKeyFTEAAKUIGXQAED-UHFFFAOYSA-N
MW1325.37 g/mol
LogP10.16
Rot. Bonds10

About 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide

6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide (PubChem CID 158134378) has the molecular formula C57H74Cl4N12O8S4 and a molecular weight of 1325.37 g/mol. Its IUPAC name is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide
PubChem CID158134378
Molecular FormulaC57H74Cl4N12O8S4
Molecular Weight1325.37 g/mol
Exact Mass1322.34
IUPAC Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CNS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/2C15H20ClN3O2S.C14H18ClN3O2S.C13H16ClN3O2S/c1-18(2)22(20,21)19-7-4-11(5-8-19)14-9-12(16)10-15-13(14)3-6-17-15;1-15(2)10-18(6-7-19(15)22(3,20)21)14-9-11(16)8-13-12(14)4-5-17-13;1-16-21(19,20)18-6-3-10(4-7-18)13-8-11(15)9-14-12(13)2-5-17-14;14-10-7-12(11-1-4-16-13(11)8-10)9-2-5-17(6-3-9)20(15,18)19/h3,6,9-11,17H,4-5,7-8H2,1-2H3;4-5,8-9,17H,6-7,10H2,1-3H3;2,5,8-10,16-17H,3-4,6-7H2,1H3;1,4,7-9,16H,2-3,5-6H2,(H2,15,18,19)
InChIKeyFTEAAKUIGXQAED-UHFFFAOYSA-N
XLogP10.16
TPSA257.21 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.37
LogP ≤ 510.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide with MolForge

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Related Compounds

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157336861
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
N-[2-(6-chloro-1H-indol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159770354
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-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
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
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 157055211
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 157214604
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indole
CID 157253297
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indol-4-yl)piperazine-1-sulfonamide
CID 157299475
[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-cyclopropylmethanone;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indole
CID 157612843
6-Chloro-1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-piperidin-1-ylindole;6-chloro-3-(difluoromethyl)-1-(2-fluorophenyl)sulfonyl-4-piperidin-1-ylindole;6-chloro-3-(difluoromethyl)-1-(2-methylphenyl)sulfonyl-4-piperidin-1-ylindole;4-cyclohexyl-3-(difluoromethyl)-1-(2-methylphenyl)sulfonylindole
CID 157623915

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide?
The IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide (CID 158134378) is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide?
The canonical SMILES for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide is CC1(C)CN(c2cc(Cl)cc3[nH]ccc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CNS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide?
The InChIKey is FTEAAKUIGXQAED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20ClN3O2S.C14H18ClN3O2S.C13H16ClN3O2S/c1-18(2)22(20,21)19-7-4-11(5-8-19)14-9-12(16)10-15-13(14)3-6-17-15;1-15(2)10-18(6-7-19(15)22(3,20)21)14-9-11(16)8-13-12(14)4-5-17-13;1-16-21(19,20)18-6-3-10(4-7-18)13-8-11(15)9-14-12(13)2-5-17-14;14-10-7-12(11-1-4-16-13(11)8-10)9-2-5-17(6-3-9)20(15,18)19/h3,6,9-11,17H,4-5,7-8H2,1-2H3;4-5,8-9,17H,6-7,10H2,1-3H3;2,5,8-10,16-17H,3-4,6-7H2,1H3;1,4,7-9,16H,2-3,5-6H2,(H2,15,18,19).
What are the key properties of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide?
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide has a molecular weight of 1325.37 g/mol, XLogP of 10.16, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indol-4-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 158134378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).