(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide

C24H23F3N4O4S — CID 135193620

IUPAC(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ccncn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C24H23F3N4O4S/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-34-12-9-31)18-6-10-35-22-14-17(2-4-20(18)22)36(32,33)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/m1/s1
InChIKeyKQJDXTLVXINOPH-GOSISDBHSA-N
MW520.53 g/mol
LogP4.05
Rot. Bonds5

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

(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 135193620) has the molecular formula C24H23F3N4O4S and a molecular weight of 520.53 g/mol. Its IUPAC name is (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID135193620
Molecular FormulaC24H23F3N4O4S
Molecular Weight520.53 g/mol
Exact Mass520.14
IUPAC Name(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ccncn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C24H23F3N4O4S/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-34-12-9-31)18-6-10-35-22-14-17(2-4-20(18)22)36(32,33)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/m1/s1
InChIKeyKQJDXTLVXINOPH-GOSISDBHSA-N
XLogP4.05
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide (CID 135193620) is (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1ccncn1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is KQJDXTLVXINOPH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23F3N4O4S/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-34-12-9-31)18-6-10-35-22-14-17(2-4-20(18)22)36(32,33)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/m1/s1.
What are the key properties of (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide?
(4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 520.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 135193620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).