(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile

C19H14F3NO3S — CID 59052518

IUPAC(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)O[C@@H](C#N)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H14F3NO3S/c1-12-7-9-14(10-8-12)27(24,25)17-16(13-5-3-2-4-6-13)15(11-23)26-18(17)19(20,21)22/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChIKeyREOZHQTVTPKFNO-HOTGVXAUSA-N
MW393.39 g/mol
LogP4.25
Rot. Bonds3

About (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile

(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile (PubChem CID 59052518) has the molecular formula C19H14F3NO3S and a molecular weight of 393.39 g/mol. Its IUPAC name is (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile.

Molecular Properties

Compound Name(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile
PubChem CID59052518
Molecular FormulaC19H14F3NO3S
Molecular Weight393.39 g/mol
Exact Mass393.06
IUPAC Name(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)O[C@@H](C#N)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H14F3NO3S/c1-12-7-9-14(10-8-12)27(24,25)17-16(13-5-3-2-4-6-13)15(11-23)26-18(17)19(20,21)22/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChIKeyREOZHQTVTPKFNO-HOTGVXAUSA-N
XLogP4.25
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile?
The IUPAC name of (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile (CID 59052518) is (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile.
What is the SMILES notation for (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile?
The canonical SMILES for (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile is Cc1ccc(S(=O)(=O)C2=C(C(F)(F)F)O[C@@H](C#N)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile?
The InChIKey is REOZHQTVTPKFNO-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H14F3NO3S/c1-12-7-9-14(10-8-12)27(24,25)17-16(13-5-3-2-4-6-13)15(11-23)26-18(17)19(20,21)22/h2-10,15-16H,1H3/t15-,16-/m0/s1.
What are the key properties of (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile?
(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile has a molecular weight of 393.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile is sourced from PubChem (CID 59052518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).