2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide

C12H17F2N3O3S — CID 61476091

IUPAC2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H17F2N3O3S/c1-3-4-16-12(18)7(2)17-21(19,20)11-6-10(15)8(13)5-9(11)14/h5-7,17H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyDGNCNSQIQNOFEH-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.74
Rot. Bonds6

About 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide

2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 61476091) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID61476091
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC Name2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H17F2N3O3S/c1-3-4-16-12(18)7(2)17-21(19,20)11-6-10(15)8(13)5-9(11)14/h5-7,17H,3-4,15H2,1-2H3,(H,16,18)
InChIKeyDGNCNSQIQNOFEH-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 79885689
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421457
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
CID 116645815
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 61496306
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
tert-butyl N-[2-[(5-amino-2,4-difluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932750
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide (CID 61476091) is 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is DGNCNSQIQNOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-3-4-16-12(18)7(2)17-21(19,20)11-6-10(15)8(13)5-9(11)14/h5-7,17H,3-4,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide?
2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 321.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 61476091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).