4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

C22H28F2N2O2S — CID 68913990

About 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide

4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (PubChem CID 68913990) has the molecular formula C22H28F2N2O2S and a molecular weight of 422.54 g/mol. Its IUPAC name is 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
• PubChem CID: 68913990
• Molecular Formula: C22H28F2N2O2S
• Molecular Weight: 422.54 g/mol
• Exact Mass: 422.18
• IUPAC Name: 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
• SMILES: CCCNC1CCc2cc(NS(=O)(=O)c3ccc(C(C)C(F)F)cc3)ccc2C1
• InChI: InChI=1S/C22H28F2N2O2S/c1-3-12-25-19-8-4-18-14-20(9-5-17(18)13-19)26-29(27,28)21-10-6-16(7-11-21)15(2)22(23)24/h5-7,9-11,14-15,19,22,25-26H,3-4,8,12-13H2,1-2H3
• InChIKey: MXUGNGMDJXBLEZ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.54
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?

The IUPAC name of 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide (CID 68913990) is 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?

The canonical SMILES for 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is CCCNC1CCc2cc(NS(=O)(=O)c3ccc(C(C)C(F)F)cc3)ccc2C1.

What is the InChIKey of 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?

The InChIKey is MXUGNGMDJXBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O2S/c1-3-12-25-19-8-4-18-14-20(9-5-17(18)13-19)26-29(27,28)21-10-6-16(7-11-21)15(2)22(23)24/h5-7,9-11,14-15,19,22,25-26H,3-4,8,12-13H2,1-2H3.

What are the key properties of 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide?

4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide has a molecular weight of 422.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 68913990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).