3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide

C17H25FN2O3S — CID 119530492

IUPAC3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CC(C)S(=O)(=O)c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C17H25FN2O3S/c1-3-10-20(15-8-9-19-12-15)17(21)11-13(2)24(22,23)16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyATZZPKMPMNYAQD-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.98
Rot. Bonds7

About 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide

3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119530492) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119530492
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CC(C)S(=O)(=O)c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C17H25FN2O3S/c1-3-10-20(15-8-9-19-12-15)17(21)11-13(2)24(22,23)16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyATZZPKMPMNYAQD-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530613
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide (CID 119530492) is 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide is CCCN(C(=O)CC(C)S(=O)(=O)c1ccc(F)cc1)C1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is ATZZPKMPMNYAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-3-10-20(15-8-9-19-12-15)17(21)11-13(2)24(22,23)16-6-4-14(18)5-7-16/h4-7,13,15,19H,3,8-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 356.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).