2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide

C13H20FN3O3S — CID 115421457

IUPAC2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C13H20FN3O3S/c1-4-5-16-13(18)9(3)17-21(19,20)10-6-8(2)12(14)11(15)7-10/h6-7,9,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyTWNVDTZOIMSJGI-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.91
Rot. Bonds6

About 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide

2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 115421457) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID115421457
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C13H20FN3O3S/c1-4-5-16-13(18)9(3)17-21(19,20)10-6-8(2)12(14)11(15)7-10/h6-7,9,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyTWNVDTZOIMSJGI-UHFFFAOYSA-N
XLogP0.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421509
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
3-amino-4-fluoro-N-heptan-2-yl-5-methylbenzenesulfonamide
CID 115421268
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 79885689
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
3-amino-4-fluoro-N-hex-1-yn-3-yl-5-methylbenzenesulfonamide
CID 106223806
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 115421255
3-amino-4-fluoro-5-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 115421550
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide (CID 115421457) is 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1cc(C)c(F)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is TWNVDTZOIMSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-4-5-16-13(18)9(3)17-21(19,20)10-6-8(2)12(14)11(15)7-10/h6-7,9,17H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide?
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 115421457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).