(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide

C16H16FNO4S — CID 129397345

IUPAC(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-11(23(20,21)15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQXAPMAMUNIXGNA-LLVKDONJSA-N
MW337.37 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide

(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide (PubChem CID 129397345) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
PubChem CID129397345
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-11(23(20,21)15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQXAPMAMUNIXGNA-LLVKDONJSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 129371555
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
(2S)-N-(cyclohexylmethyl)-2-(3-fluorophenyl)sulfonylpropanamide
CID 124509791
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
4-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8681189
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide (CID 129397345) is (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is QXAPMAMUNIXGNA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-11(23(20,21)15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
(2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 337.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 129397345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).