2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide

C13H19FN2O3S — CID 81184216

IUPAC2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O3S/c1-9(2)5-6-16-13(17)8-20(18,19)12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPHDZLCLAFLYRPO-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.34
Rot. Bonds6

About 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide

2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide (PubChem CID 81184216) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
PubChem CID81184216
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O3S/c1-9(2)5-6-16-13(17)8-20(18,19)12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPHDZLCLAFLYRPO-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.34
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-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 61486701
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide (CID 81184216) is 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The InChIKey is PHDZLCLAFLYRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9(2)5-6-16-13(17)8-20(18,19)12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 81184216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).