2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide

C12H15FN2O3S — CID 81187428

IUPAC2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H15FN2O3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3,14H2,1H3,(H,15,16)
InChIKeyUUDBZJINSMMIEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide

2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (PubChem CID 81187428) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
PubChem CID81187428
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H15FN2O3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3,14H2,1H3,(H,15,16)
InChIKeyUUDBZJINSMMIEU-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-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 47218027
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81183174
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
2-(4-amino-2-bromophenyl)sulfonyl-N-cyclopropylpropanamide
CID 82834759
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
CID 56797945
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
2-(4-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81185373
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide (CID 81187428) is 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
The InChIKey is UUDBZJINSMMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-7(12(16)15-8-2-3-8)19(17,18)9-4-5-11(14)10(13)6-9/h4-8H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide?
2-(4-amino-3-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-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide is sourced from PubChem (CID 81187428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).