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

C26H23F3N4O3S — CID 135184675

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

4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135184675) has the molecular formula C26H23F3N4O3S and a molecular weight of 528.56 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135184675
• Molecular Formula: C26H23F3N4O3S
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.14
• IUPAC Name: 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCC3c2ccc(C(F)(F)F)cc2-c2ccnn2C)nc1
• InChI: InChI=1S/C26H23F3N4O3S/c1-16-3-8-25(30-15-16)32-37(34,35)18-5-7-21-20(10-12-36-24(21)14-18)19-6-4-17(26(27,28)29)13-22(19)23-9-11-31-33(23)2/h3-9,11,13-15,20H,10,12H2,1-2H3,(H,30,32)
• InChIKey: KTCUTUAUCOTBDN-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135184675) is 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide.

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

The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCC3c2ccc(C(F)(F)F)cc2-c2ccnn2C)nc1.

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

The InChIKey is KTCUTUAUCOTBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3S/c1-16-3-8-25(30-15-16)32-37(34,35)18-5-7-21-20(10-12-36-24(21)14-18)19-6-4-17(26(27,28)29)13-22(19)23-9-11-31-33(23)2/h3-9,11,13-15,20H,10,12H2,1-2H3,(H,30,32).

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

4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 528.56 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135184675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).