N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

C24H19F4N5O3S — CID 135184702

About N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135184702) has the molecular formula C24H19F4N5O3S and a molecular weight of 533.51 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135184702
• Molecular Formula: C24H19F4N5O3S
• Molecular Weight: 533.51 g/mol
• Exact Mass: 533.11
• IUPAC Name: N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCOc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc21
• InChI: InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32)
• InChIKey: DIIOLIAWCJDCHQ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.51
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135184702) is N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is Cn1nccc1-c1cc(C(F)(F)F)ccc1C1CCOc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc21.

What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is DIIOLIAWCJDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32).

What are the key properties of N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 533.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135184702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).