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

C67H78Cl4FN11O7S2 — CID 157055211

IUPAC4-(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
SMILESCC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CN(C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.O=C(N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C20H21ClN2O2S.C16H19ClFN3O.C16H18ClN3O2.C15H20ClN3O2S/c21-17-12-19(18-6-9-22-20(18)13-17)16-7-10-23(11-8-16)26(24,25)14-15-4-2-1-3-5-15;1-16(2,18)15(22)21-7-5-20(6-8-21)14-10-11(17)9-13-12(14)3-4-19-13;17-11-9-13-12(1-4-18-13)14(10-11)19-5-7-20(8-6-19)15(21)16(22)2-3-16;1-18(22(2,20)21)12-4-7-19(8-5-12)15-10-11(16)9-14-13(15)3-6-17-14/h1-6,9,12-13,16,22H,7-8,10-11,14H2;3-4,9-10,19H,5-8H2,1-2H3;1,4,9-10,18,22H,2-3,5-8H2;3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyAARCIIABOPRZRY-UHFFFAOYSA-N
MW1374.37 g/mol
LogP12.43
Rot. Bonds11

About 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

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 (PubChem CID 157055211) has the molecular formula C67H78Cl4FN11O7S2 and a molecular weight of 1374.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157055211
Molecular FormulaC67H78Cl4FN11O7S2
Molecular Weight1374.37 g/mol
Exact Mass1371.43
IUPAC Name4-(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
SMILESCC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CN(C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.O=C(N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C20H21ClN2O2S.C16H19ClFN3O.C16H18ClN3O2.C15H20ClN3O2S/c21-17-12-19(18-6-9-22-20(18)13-17)16-7-10-23(11-8-16)26(24,25)14-15-4-2-1-3-5-15;1-16(2,18)15(22)21-7-5-20(6-8-21)14-10-11(17)9-13-12(14)3-4-19-13;17-11-9-13-12(1-4-18-13)14(10-11)19-5-7-20(8-6-19)15(21)16(22)2-3-16;1-18(22(2,20)21)12-4-7-19(8-5-12)15-10-11(16)9-14-13(15)3-6-17-14/h1-6,9,12-13,16,22H,7-8,10-11,14H2;3-4,9-10,19H,5-8H2,1-2H3;1,4,9-10,18,22H,2-3,5-8H2;3,6,9-10,12,17H,4-5,7-8H2,1-2H3
InChIKeyAARCIIABOPRZRY-UHFFFAOYSA-N
XLogP12.43
TPSA208.49 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001374.37
LogP ≤ 512.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
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
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
1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
CID 157172602
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
1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 157304330
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperidin-1-yl]ethanone
CID 157479607

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(F)C(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CN(C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.O=C(N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 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?
The InChIKey is AARCIIABOPRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S.C16H19ClFN3O.C16H18ClN3O2.C15H20ClN3O2S/c21-17-12-19(18-6-9-22-20(18)13-17)16-7-10-23(11-8-16)26(24,25)14-15-4-2-1-3-5-15;1-16(2,18)15(22)21-7-5-20(6-8-21)14-10-11(17)9-13-12(14)3-4-19-13;17-11-9-13-12(1-4-18-13)14(10-11)19-5-7-20(8-6-19)15(21)16(22)2-3-16;1-18(22(2,20)21)12-4-7-19(8-5-12)15-10-11(16)9-14-13(15)3-6-17-14/h1-6,9,12-13,16,22H,7-8,10-11,14H2;3-4,9-10,19H,5-8H2,1-2H3;1,4,9-10,18,22H,2-3,5-8H2;3,6,9-10,12,17H,4-5,7-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1374.37 g/mol, XLogP of 12.43, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157055211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).