2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

C10H13F2N3O3S — CID 107343391

IUPAC2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H13F2N3O3S/c1-5(10(16)14-2)15-19(17,18)7-4-3-6(11)9(13)8(7)12/h3-5,15H,13H2,1-2H3,(H,14,16)
InChIKeyHPFISOKBOOXHFP-UHFFFAOYSA-N
MW293.30 g/mol
LogP-0.04
Rot. Bonds4

About 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide

2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 107343391) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID107343391
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H13F2N3O3S/c1-5(10(16)14-2)15-19(17,18)7-4-3-6(11)9(13)8(7)12/h3-5,15H,13H2,1-2H3,(H,14,16)
InChIKeyHPFISOKBOOXHFP-UHFFFAOYSA-N
XLogP-0.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.04
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

4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide (CID 107343391) is 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is HPFISOKBOOXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c1-5(10(16)14-2)15-19(17,18)7-4-3-6(11)9(13)8(7)12/h3-5,15H,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide?
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 293.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 107343391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).