N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide

C12H16FN3O3S — CID 119967297

IUPACN-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCNC2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c1-8(17)15-12-6-10(2-3-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyCUKHWKVAPFGEFM-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.42
Rot. Bonds4

About N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide

N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 119967297) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID119967297
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCNC2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c1-8(17)15-12-6-10(2-3-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyCUKHWKVAPFGEFM-UHFFFAOYSA-N
XLogP0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655
N-[5-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-2-fluorophenyl]acetamide
CID 120719668
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide (CID 119967297) is N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NC2CCNC2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CUKHWKVAPFGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-8(17)15-12-6-10(2-3-11(12)13)20(18,19)16-9-4-5-14-7-9/h2-3,6,9,14,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide?
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 301.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 119967297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).