3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C30H32ClF3N4O3S — CID 66799160

About 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66799160) has the molecular formula C30H32ClF3N4O3S and a molecular weight of 621.13 g/mol. Its IUPAC name is 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 66799160
• Molecular Formula: C30H32ClF3N4O3S
• Molecular Weight: 621.13 g/mol
• Exact Mass: 620.18
• IUPAC Name: 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC4)CC2)cc(C)n1
• InChI: InChI=1S/C30H32ClF3N4O3S/c1-18-15-23(16-19(2)35-18)38-13-11-22(12-14-38)37(3)29(39)21-8-7-20-9-10-27(24(20)17-21)36-42(40,41)28-25(30(32,33)34)5-4-6-26(28)31/h4-8,15-17,22,27,36H,9-14H2,1-3H3
• InChIKey: ZCBSKUAVTVVRON-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.13
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66799160) is 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)CC4)CC2)cc(C)n1.

What is the InChIKey of 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is ZCBSKUAVTVVRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClF3N4O3S/c1-18-15-23(16-19(2)35-18)38-13-11-22(12-14-38)37(3)29(39)21-8-7-20-9-10-27(24(20)17-21)36-42(40,41)28-25(30(32,33)34)5-4-6-26(28)31/h4-8,15-17,22,27,36H,9-14H2,1-3H3.

What are the key properties of 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?

3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 621.13 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66799160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).