(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

C26H20F4N4O3S — CID 126650543

IUPAC(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1
InChIInChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1
InChIKeyNZKAKWZSTIGNFK-OAQYLSRUSA-N
MW544.53 g/mol
LogP5.72
Rot. Bonds5

About (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 126650543) has the molecular formula C26H20F4N4O3S and a molecular weight of 544.53 g/mol. Its IUPAC name is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID126650543
Molecular FormulaC26H20F4N4O3S
Molecular Weight544.53 g/mol
Exact Mass544.12
IUPAC Name(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1
InChIInChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1
InChIKeyNZKAKWZSTIGNFK-OAQYLSRUSA-N
XLogP5.72
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 126650543) is (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is Cc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncc(F)cn4)ccc32)cn1.
What is the InChIKey of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is NZKAKWZSTIGNFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H20F4N4O3S/c1-15-2-3-16(12-31-15)23-10-17(26(28,29)30)4-6-20(23)21-8-9-37-24-11-19(5-7-22(21)24)38(35,36)34-25-32-13-18(27)14-33-25/h2-7,10-14,21H,8-9H2,1H3,(H,32,33,34)/t21-/m1/s1.
What are the key properties of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 544.53 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 126650543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).