2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

C12H18FN3O3S — CID 103106533

IUPAC2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H18FN3O3S/c1-4-16(3)12(17)8(2)15-20(18,19)11-9(13)6-5-7-10(11)14/h5-8,15H,4,14H2,1-3H3
InChIKeyGVNKRTDPFCANHN-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103106533) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
PubChem CID103106533
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H18FN3O3S/c1-4-16(3)12(17)8(2)15-20(18,19)11-9(13)6-5-7-10(11)14/h5-8,15H,4,14H2,1-3H3
InChIKeyGVNKRTDPFCANHN-UHFFFAOYSA-N
XLogP0.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.55
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-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
2-[(3-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110430
2-[(4-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110433
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (CID 103106533) is 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is GVNKRTDPFCANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-4-16(3)12(17)8(2)15-20(18,19)11-9(13)6-5-7-10(11)14/h5-8,15H,4,14H2,1-3H3.
What are the key properties of 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).