N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H14FN3O4S — CID 61132417

IUPACN-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C12H14FN3O4S/c13-8-4-9(6-10(5-8)21(14,19)20)15-11(17)7-16-3-1-2-12(16)18/h4-6H,1-3,7H2,(H,15,17)(H2,14,19,20)
InChIKeyTVQNGRCVWKQNDH-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.03
Rot. Bonds4

About N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 61132417) has the molecular formula C12H14FN3O4S and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID61132417
Molecular FormulaC12H14FN3O4S
Molecular Weight315.33 g/mol
Exact Mass315.07
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNS(=O)(=O)c1cc(F)cc(NC(=O)CN2CCCC2=O)c1
InChIInChI=1S/C12H14FN3O4S/c13-8-4-9(6-10(5-8)21(14,19)20)15-11(17)7-16-3-1-2-12(16)18/h4-6H,1-3,7H2,(H,15,17)(H2,14,19,20)
InChIKeyTVQNGRCVWKQNDH-UHFFFAOYSA-N
XLogP0.03
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
N-(3-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61132513
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-oxoazocan-1-yl)acetamide
CID 120605649

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 61132417) is N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is NS(=O)(=O)c1cc(F)cc(NC(=O)CN2CCCC2=O)c1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is TVQNGRCVWKQNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4S/c13-8-4-9(6-10(5-8)21(14,19)20)15-11(17)7-16-3-1-2-12(16)18/h4-6H,1-3,7H2,(H,15,17)(H2,14,19,20).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 61132417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).