4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C31H36ClF3N2O3S — CID 143905556

About 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 143905556) has the molecular formula C31H36ClF3N2O3S and a molecular weight of 609.15 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 143905556
• Molecular Formula: C31H36ClF3N2O3S
• Molecular Weight: 609.15 g/mol
• Exact Mass: 608.21
• IUPAC Name: 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
• SMILES: Cc1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)CNC(C)(C)CC3Cc4ccccc4C3)c(C(F)(F)F)c2)cc1Cl
• InChI: InChI=1S/C31H36ClF3N2O3S/c1-20-9-10-25(16-28(20)32)24-11-12-29(27(15-24)31(33,34)35)41(39,40)37(4)19-26(38)18-36-30(2,3)17-21-13-22-7-5-6-8-23(22)14-21/h5-12,15-16,21,26,36,38H,13-14,17-19H2,1-4H3
• InChIKey: TVSDWUCCQXTBSK-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.15
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 143905556) is 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)CNC(C)(C)CC3Cc4ccccc4C3)c(C(F)(F)F)c2)cc1Cl.

What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?

The InChIKey is TVSDWUCCQXTBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClF3N2O3S/c1-20-9-10-25(16-28(20)32)24-11-12-29(27(15-24)31(33,34)35)41(39,40)37(4)19-26(38)18-36-30(2,3)17-21-13-22-7-5-6-8-23(22)14-21/h5-12,15-16,21,26,36,38H,13-14,17-19H2,1-4H3.

What are the key properties of 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?

4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 609.15 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-4-methylphenyl)-N-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143905556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).