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

C12H15FN2O3S — CID 81183174

IUPAC2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-6-8(13)2-5-10(11)14/h2,5-7,9H,3-4,14H2,1H3,(H,15,16)
InChIKeyUFOLFIUNLTXTQI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.85
Rot. Bonds4

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

2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (PubChem CID 81183174) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
PubChem CID81183174
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H15FN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-6-8(13)2-5-10(11)14/h2,5-7,9H,3-4,14H2,1H3,(H,15,16)
InChIKeyUFOLFIUNLTXTQI-UHFFFAOYSA-N
XLogP0.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.85
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-cyclopentylpropanamide
CID 81193113
2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81187428
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117022
2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 47218027
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (CID 81183174) is 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The InChIKey is UFOLFIUNLTXTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-7(12(16)15-9-3-4-9)19(17,18)11-6-8(13)2-5-10(11)14/h2,5-7,9H,3-4,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide has a molecular weight of 286.33 g/mol, XLogP of 0.85, 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-cyclopropylpropanamide is sourced from PubChem (CID 81183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).