[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C78H99ClF4N14O9S5 — CID 158226233

About [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide

[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 158226233) has the molecular formula C78H99ClF4N14O9S5 and a molecular weight of 1648.52 g/mol. Its IUPAC name is [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

• Compound Name: [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
• PubChem CID: 158226233
• Molecular Formula: C78H99ClF4N14O9S5
• Molecular Weight: 1648.52 g/mol
• Exact Mass: 1646.59
• IUPAC Name: [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
• SMILES: C=S(C)(=O)N1CC=C(c2c[nH]c3cc(OCCN(C)C)ccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1.CN(C)S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.CN(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CNS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
• InChI: InChI=1S/C19H27N3O2S.C15H18ClFN2OS.C15H20FN3O2S.C15H18FN3O2S.C14H16FN3O2S/c1-21(2)11-12-24-16-5-6-17-18(14-20-19(17)13-16)15-7-9-22(10-8-15)25(3,4)23;1-21(2,20)19-5-3-10(4-6-19)12-9-18-15-8-14(17)13(16)7-11(12)15;2*1-18(2)22(20,21)19-7-5-11(6-8-19)14-10-17-15-9-12(16)3-4-13(14)15;1-16-21(19,20)18-6-4-10(5-7-18)13-9-17-14-8-11(15)2-3-12(13)14/h5-7,13-14,20H,3,8-12H2,1-2,4H3;7-10,18H,1,3-6H2,2H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;2-4,8-9,16-17H,5-7H2,1H3
• InChIKey: GDVICGICMJFJSG-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 262.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1648.52
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?

The IUPAC name of [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 158226233) is [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

What is the SMILES notation for [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?

The canonical SMILES for [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is C=S(C)(=O)N1CC=C(c2c[nH]c3cc(OCCN(C)C)ccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(F)c(Cl)cc23)CC1.CN(C)S(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.CN(C)S(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CNS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.

What is the InChIKey of [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?

The InChIKey is GDVICGICMJFJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.C15H18ClFN2OS.C15H20FN3O2S.C15H18FN3O2S.C14H16FN3O2S/c1-21(2)11-12-24-16-5-6-17-18(14-20-19(17)13-16)15-7-9-22(10-8-15)25(3,4)23;1-21(2,20)19-5-3-10(4-6-19)12-9-18-15-8-14(17)13(16)7-11(12)15;2*1-18(2)22(20,21)19-7-5-11(6-8-19)14-10-17-15-9-12(16)3-4-13(14)15;1-16-21(19,20)18-6-4-10(5-7-18)13-9-17-14-8-11(15)2-3-12(13)14/h5-7,13-14,20H,3,8-12H2,1-2,4H3;7-10,18H,1,3-6H2,2H3;3-4,9-11,17H,5-8H2,1-2H3;3-5,9-10,17H,6-8H2,1-2H3;2-4,8-9,16-17H,5-7H2,1H3.

What are the key properties of [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide?

[4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 1648.52 g/mol, XLogP of 12.22, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-chloro-6-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane;N,N-dimethyl-2-[[3-[1-(methyl-methylidene-oxo-λ6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-6-yl]oxy]ethanamine;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-fluoro-1H-indol-3-yl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 158226233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).