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

C24H19F4N5O3S — CID 126668464

IUPAC(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1nccc1-c1cc(C(F)(F)F)ccc1[C@H]1CCOc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc21
InChIInChI=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)/t18-/m1/s1
InChIKeyDIIOLIAWCJDCHQ-GOSISDBHSA-N
MW533.51 g/mol
LogP4.75
Rot. Bonds5

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

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 126668464) has the molecular formula C24H19F4N5O3S and a molecular weight of 533.51 g/mol. Its IUPAC name is (4R)-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(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID126668464
Molecular FormulaC24H19F4N5O3S
Molecular Weight533.51 g/mol
Exact Mass533.11
IUPAC Name(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1nccc1-c1cc(C(F)(F)F)ccc1[C@H]1CCOc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc21
InChIInChI=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)/t18-/m1/s1
InChIKeyDIIOLIAWCJDCHQ-GOSISDBHSA-N
XLogP4.75
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-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 (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 126668464) is (4R)-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 (4R)-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 (4R)-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)ccc1[C@H]1CCOc2cc(S(=O)(=O)Nc3ncc(F)cn3)ccc21.
What is the InChIKey of (4R)-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-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of (4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
(4R)-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 (4R)-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 126668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).