2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide

C14H19FN2O3S — CID 81193113

IUPAC2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O3S/c1-9(14(18)17-11-4-2-3-5-11)21(19,20)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyAABZDYKLZRJSCC-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide

2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide (PubChem CID 81193113) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
PubChem CID81193113
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN2O3S/c1-9(14(18)17-11-4-2-3-5-11)21(19,20)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18)
InChIKeyAABZDYKLZRJSCC-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81187428
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
CID 51727076

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide (CID 81193113) is 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide?
The InChIKey is AABZDYKLZRJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-9(14(18)17-11-4-2-3-5-11)21(19,20)13-8-10(15)6-7-12(13)16/h6-9,11H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide?
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide is sourced from PubChem (CID 81193113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).