2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

C11H15FN4O4S — CID 80642681

IUPAC2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1F
InChIInChI=1S/C11H15FN4O4S/c1-6-2-7(13)3-8(11(6)12)21(19,20)16(4-9(14)17)5-10(15)18/h2-3H,4-5,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyWJWXOFICNUSBMJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP-1.32
Rot. Bonds6

About 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 80642681) has the molecular formula C11H15FN4O4S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID80642681
Molecular FormulaC11H15FN4O4S
Molecular Weight318.33 g/mol
Exact Mass318.08
IUPAC Name2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1F
InChIInChI=1S/C11H15FN4O4S/c1-6-2-7(13)3-8(11(6)12)21(19,20)16(4-9(14)17)5-10(15)18/h2-3H,4-5,13H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyWJWXOFICNUSBMJ-UHFFFAOYSA-N
XLogP-1.32
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (CID 80642681) is 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is Cc1cc(N)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1F.
What is the InChIKey of 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is WJWXOFICNUSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O4S/c1-6-2-7(13)3-8(11(6)12)21(19,20)16(4-9(14)17)5-10(15)18/h2-3H,4-5,13H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 318.33 g/mol, XLogP of -1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 80642681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).