6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole

C69H95Cl2N11O8S4 — CID 158130735

IUPAC6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CC(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CS(=O)(=O)N1CCN(c2cc(N3CCCC3)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H23ClN2O2S.C18H27N3O2S.C17H24N4O2S.C16H21ClN2O2S/c19-14-11-17(16-5-8-20-18(16)12-14)13-6-9-21(10-7-13)24(22,23)15-3-1-2-4-15;1-13(2)14-10-16-15(6-7-19-16)17(11-14)20-8-9-21(24(5,22)23)18(3,4)12-20;1-24(22,23)21-10-8-20(9-11-21)17-13-14(19-6-2-3-7-19)12-16-15(17)4-5-18-16;1-11(2)22(20,21)19-7-4-12(5-8-19)15-9-13(17)10-16-14(15)3-6-18-16/h5,8,11-13,15,20H,1-4,6-7,9-10H2;6-7,10-11,13,19H,8-9,12H2,1-5H3;4-5,12-13,18H,2-3,6-11H2,1H3;3,6,9-12,18H,4-5,7-8H2,1-2H3
InChIKeyFSSZHXCUTBWPJR-UHFFFAOYSA-N
MW1405.76 g/mol
LogP13.01
Rot. Bonds12

About 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole

6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole (PubChem CID 158130735) has the molecular formula C69H95Cl2N11O8S4 and a molecular weight of 1405.76 g/mol. Its IUPAC name is 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole.

Molecular Properties

Compound Name6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
PubChem CID158130735
Molecular FormulaC69H95Cl2N11O8S4
Molecular Weight1405.76 g/mol
Exact Mass1403.56
IUPAC Name6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole
SMILESCC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CC(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CS(=O)(=O)N1CCN(c2cc(N3CCCC3)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C18H23ClN2O2S.C18H27N3O2S.C17H24N4O2S.C16H21ClN2O2S/c19-14-11-17(16-5-8-20-18(16)12-14)13-6-9-21(10-7-13)24(22,23)15-3-1-2-4-15;1-13(2)14-10-16-15(6-7-19-16)17(11-14)20-8-9-21(24(5,22)23)18(3,4)12-20;1-24(22,23)21-10-8-20(9-11-21)17-13-14(19-6-2-3-7-19)12-16-15(17)4-5-18-16;1-11(2)22(20,21)19-7-4-12(5-8-19)15-9-13(17)10-16-14(15)3-6-18-16/h5,8,11-13,15,20H,1-4,6-7,9-10H2;6-7,10-11,13,19H,8-9,12H2,1-5H3;4-5,12-13,18H,2-3,6-11H2,1H3;3,6,9-12,18H,4-5,7-8H2,1-2H3
InChIKeyFSSZHXCUTBWPJR-UHFFFAOYSA-N
XLogP13.01
TPSA222.40 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.76
LogP ≤ 513.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole with MolForge

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Related Compounds

[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 157136724
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 157802581
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
3-[1-(amino-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-6-fluoro-1H-indole;[4-(5-chloro-6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 160900274
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 161985617
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole?
The IUPAC name of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole (CID 158130735) is 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole.
What is the SMILES notation for 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole?
The canonical SMILES for 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole is CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.CC(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cc[nH]c2c1.CS(=O)(=O)N1CCN(c2cc(N3CCCC3)cc3[nH]ccc23)CC1.O=S(=O)(C1CCCC1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole?
The InChIKey is FSSZHXCUTBWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S.C18H27N3O2S.C17H24N4O2S.C16H21ClN2O2S/c19-14-11-17(16-5-8-20-18(16)12-14)13-6-9-21(10-7-13)24(22,23)15-3-1-2-4-15;1-13(2)14-10-16-15(6-7-19-16)17(11-14)20-8-9-21(24(5,22)23)18(3,4)12-20;1-24(22,23)21-10-8-20(9-11-21)17-13-14(19-6-2-3-7-19)12-16-15(17)4-5-18-16;1-11(2)22(20,21)19-7-4-12(5-8-19)15-9-13(17)10-16-14(15)3-6-18-16/h5,8,11-13,15,20H,1-4,6-7,9-10H2;6-7,10-11,13,19H,8-9,12H2,1-5H3;4-5,12-13,18H,2-3,6-11H2,1H3;3,6,9-12,18H,4-5,7-8H2,1-2H3.
What are the key properties of 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole?
6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole has a molecular weight of 1405.76 g/mol, XLogP of 13.01, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-pyrrolidin-1-yl-1H-indole is sourced from PubChem (CID 158130735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).