N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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

C64H77ClF3N9O8S3 — CID 162178082

About N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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

N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 (PubChem CID 162178082) has the molecular formula C64H77ClF3N9O8S3 and a molecular weight of 1289.02 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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.

Molecular Properties

• Compound Name: N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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
• PubChem CID: 162178082
• Molecular Formula: C64H77ClF3N9O8S3
• Molecular Weight: 1289.02 g/mol
• Exact Mass: 1287.47
• IUPAC Name: N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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
• SMILES: CC(=O)N1CCC(c2cc(C(C)C)cc3[nH]ccc23)CC1.CC(C)c1cc(C2CCN(S(C)(=O)=O)CC2)c2cc[nH]c2c1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ccc23)cc1
• InChI: InChI=1S/C18H24N2O.C17H24N2O2S.C15H13ClN2O2S.C14H16F3N3O3S/c1-12(2)15-10-17(16-4-7-19-18(16)11-15)14-5-8-20(9-6-14)13(3)21;1-12(2)14-10-16(15-4-7-18-17(15)11-14)13-5-8-19(9-6-13)22(3,20)21;1-21(19,20)18-12-4-2-10(3-5-12)14-8-11(16)9-15-13(14)6-7-17-15;1-24(21,22)20-6-4-19(5-7-20)13-9-10(23-14(15,16)17)8-12-11(13)2-3-18-12/h4,7,10-12,14,19H,5-6,8-9H2,1-3H3;4,7,10-13,18H,5-6,8-9H2,1-3H3;2-9,17-18H,1H3;2-3,8-9,18H,4-7H2,1H3
• InChIKey: ZOQSNNNWPUOODZ-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 216.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1289.02
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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?

The IUPAC name of N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 162178082) is N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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.

What is the SMILES notation for N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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?

The canonical SMILES for N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 is CC(=O)N1CCC(c2cc(C(C)C)cc3[nH]ccc23)CC1.CC(C)c1cc(C2CCN(S(C)(=O)=O)CC2)c2cc[nH]c2c1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)Nc1ccc(-c2cc(Cl)cc3[nH]ccc23)cc1.

What is the InChIKey of N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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?

The InChIKey is ZOQSNNNWPUOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H24N2O2S.C15H13ClN2O2S.C14H16F3N3O3S/c1-12(2)15-10-17(16-4-7-19-18(16)11-15)14-5-8-20(9-6-14)13(3)21;1-12(2)14-10-16(15-4-7-18-17(15)11-14)13-5-8-19(9-6-13)22(3,20)21;1-21(19,20)18-12-4-2-10(3-5-12)14-8-11(16)9-15-13(14)6-7-17-15;1-24(21,22)20-6-4-19(5-7-20)13-9-10(23-14(15,16)17)8-12-11(13)2-3-18-12/h4,7,10-12,14,19H,5-6,8-9H2,1-3H3;4,7,10-13,18H,5-6,8-9H2,1-3H3;2-9,17-18H,1H3;2-3,8-9,18H,4-7H2,1H3.

What are the key properties of N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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?

N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 has a molecular weight of 1289.02 g/mol, XLogP of 13.46, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-chloro-1H-indol-4-yl)phenyl]methanesulfonamide;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;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 is sourced from PubChem (CID 162178082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).