(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide

C22H19F2NO3S — CID 143527497

IUPAC(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19F2NO3S/c1-14-12-18(23)9-11-21(14)29(27,28)25-22(26)15(2)17-8-10-19(20(24)13-17)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyPHQADHACKOJEJA-OAHLLOKOSA-N
MW415.46 g/mol
LogP4.55
Rot. Bonds5

About (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide

(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 143527497) has the molecular formula C22H19F2NO3S and a molecular weight of 415.46 g/mol. Its IUPAC name is (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID143527497
Molecular FormulaC22H19F2NO3S
Molecular Weight415.46 g/mol
Exact Mass415.11
IUPAC Name(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19F2NO3S/c1-14-12-18(23)9-11-21(14)29(27,28)25-22(26)15(2)17-8-10-19(20(24)13-17)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyPHQADHACKOJEJA-OAHLLOKOSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide (CID 143527497) is (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide is Cc1cc(F)ccc1S(=O)(=O)NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is PHQADHACKOJEJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19F2NO3S/c1-14-12-18(23)9-11-21(14)29(27,28)25-22(26)15(2)17-8-10-19(20(24)13-17)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide?
(2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 415.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluoro-2-methylphenyl)sulfonyl-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 143527497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).