N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide

C12H15FN2O5S — CID 79410911

IUPACN-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O5S/c1-7(16)14-8-2-3-12(9(13)4-8)21(19,20)15-5-10(17)11(18)6-15/h2-4,10-11,17-18H,5-6H2,1H3,(H,14,16)/t10-,11+
InChIKeyNZNFJRAGJGCMFX-PHIMTYICSA-N
MW318.33 g/mol
LogP-0.49
Rot. Bonds3

About N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide

N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide (PubChem CID 79410911) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
PubChem CID79410911
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC NameN-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O5S/c1-7(16)14-8-2-3-12(9(13)4-8)21(19,20)15-5-10(17)11(18)6-15/h2-4,10-11,17-18H,5-6H2,1H3,(H,14,16)/t10-,11+
InChIKeyNZNFJRAGJGCMFX-PHIMTYICSA-N
XLogP-0.49
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-[(3R)-3-methylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 104974956
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
N-(3,4-difluorophenyl)-3-(3,6-dihydroxyazepan-1-yl)sulfonyl-4-fluorobenzamide
CID 123196073
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
3-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-4-fluorobenzoic acid
CID 106668302
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
1-(2-fluoro-4-methylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105615
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide (CID 79410911) is N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c(F)c1.
What is the InChIKey of N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide?
The InChIKey is NZNFJRAGJGCMFX-PHIMTYICSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-7(16)14-8-2-3-12(9(13)4-8)21(19,20)15-5-10(17)11(18)6-15/h2-4,10-11,17-18H,5-6H2,1H3,(H,14,16)/t10-,11+.
What are the key properties of N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide?
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide has a molecular weight of 318.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide is sourced from PubChem (CID 79410911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).