5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

C48H48ClF6N5O2S — CID 158077306

About 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride

5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (PubChem CID 158077306) has the molecular formula C48H48ClF6N5O2S and a molecular weight of 908.45 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
• PubChem CID: 158077306
• Molecular Formula: C48H48ClF6N5O2S
• Molecular Weight: 908.45 g/mol
• Exact Mass: 907.31
• IUPAC Name: 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride
• SMILES: Cl.FC(F)(F)c1ccc(-c2cccc3c2CCCC3)c(C2=CCCCC2)c1.O=S(=O)(Nc1cnccn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCNCC2)C1
• InChI: InChI=1S/C25H24F3N5O2S.C23H23F3.ClH/c26-25(27,28)19-4-5-22(23(14-19)17-6-9-29-10-7-17)21-3-1-2-18-16-33(13-8-20(18)21)36(34,35)32-24-15-30-11-12-31-24;24-23(25,26)18-13-14-21(22(15-18)17-7-2-1-3-8-17)20-12-6-10-16-9-4-5-11-19(16)20;/h1-6,11-12,14-15,29H,7-10,13,16H2,(H,31,32);6-7,10,12-15H,1-5,8-9,11H2;1H
• InChIKey: VSSUXBGRQLLQRX-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.45
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?

The IUPAC name of 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride (CID 158077306) is 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride.

What is the SMILES notation for 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?

The canonical SMILES for 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is Cl.FC(F)(F)c1ccc(-c2cccc3c2CCCC3)c(C2=CCCCC2)c1.O=S(=O)(Nc1cnccn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCNCC2)C1.

What is the InChIKey of 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?

The InChIKey is VSSUXBGRQLLQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2S.C23H23F3.ClH/c26-25(27,28)19-4-5-22(23(14-19)17-6-9-29-10-7-17)21-3-1-2-18-16-33(13-8-20(18)21)36(34,35)32-24-15-30-11-12-31-24;24-23(25,26)18-13-14-21(22(15-18)17-7-2-1-3-8-17)20-12-6-10-16-9-4-5-11-19(16)20;/h1-6,11-12,14-15,29H,7-10,13,16H2,(H,31,32);6-7,10,12-15H,1-5,8-9,11H2;1H.

What are the key properties of 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride?

5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride has a molecular weight of 908.45 g/mol, XLogP of 11.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexen-1-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene;N-pyrazin-2-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide;hydrochloride is sourced from PubChem (CID 158077306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).