2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide

C12H16FN3O3S — CID 60806186

IUPAC2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O3S/c13-9-1-3-11(4-2-9)20(18,19)16(8-12(14)17)10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,17)
InChIKeyXPCFWKPUPXAGQZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.34
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide

2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide (PubChem CID 60806186) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
PubChem CID60806186
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
SMILESNC(=O)CN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O3S/c13-9-1-3-11(4-2-9)20(18,19)16(8-12(14)17)10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,17)
InChIKeyXPCFWKPUPXAGQZ-UHFFFAOYSA-N
XLogP-0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
CID 60800520
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60801411
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 68691572
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide (CID 60806186) is 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide is NC(=O)CN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide?
The InChIKey is XPCFWKPUPXAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-9-1-3-11(4-2-9)20(18,19)16(8-12(14)17)10-5-6-15-7-10/h1-4,10,15H,5-8H2,(H2,14,17).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide?
2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide has a molecular weight of 301.34 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide is sourced from PubChem (CID 60806186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).