(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

C24H18F4N4O3S2 — CID 135193612

About (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135193612) has the molecular formula C24H18F4N4O3S2 and a molecular weight of 550.56 g/mol. Its IUPAC name is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

• Compound Name: (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• PubChem CID: 135193612
• Molecular Formula: C24H18F4N4O3S2
• Molecular Weight: 550.56 g/mol
• Exact Mass: 550.08
• IUPAC Name: (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
• SMILES: Cc1nc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cs1
• InChI: InChI=1S/C24H18F4N4O3S2/c1-13-31-21(12-36-13)20-8-14(24(26,27)28)2-4-17(20)18-6-7-35-22-9-16(3-5-19(18)22)37(33,34)32-23-29-10-15(25)11-30-23/h2-5,8-12,18H,6-7H2,1H3,(H,29,30,32)/t18-/m1/s1
• InChIKey: KQCMZPNLYGCTKB-GOSISDBHSA-N
• XLogP: 5.78
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.56
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135193612) is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The canonical SMILES for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is Cc1nc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cs1.

What is the InChIKey of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

The InChIKey is KQCMZPNLYGCTKB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H18F4N4O3S2/c1-13-31-21(12-36-13)20-8-14(24(26,27)28)2-4-17(20)18-6-7-35-22-9-16(3-5-19(18)22)37(33,34)32-23-29-10-15(25)11-30-23/h2-5,8-12,18H,6-7H2,1H3,(H,29,30,32)/t18-/m1/s1.

What are the key properties of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 550.56 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135193612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).