2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

C10H13FN4O4S — CID 62921884

IUPAC2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H13FN4O4S/c11-6-1-2-7(12)8(3-6)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5,12H2,(H2,13,16)(H2,14,17)
InChIKeyGETLDVNTOYOWPK-UHFFFAOYSA-N
MW304.30 g/mol
LogP-1.63
Rot. Bonds6

About 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide

2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62921884) has the molecular formula C10H13FN4O4S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62921884
Molecular FormulaC10H13FN4O4S
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H13FN4O4S/c11-6-1-2-7(12)8(3-6)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5,12H2,(H2,13,16)(H2,14,17)
InChIKeyGETLDVNTOYOWPK-UHFFFAOYSA-N
XLogP-1.63
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113842
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 80642681
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide (CID 62921884) is 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is GETLDVNTOYOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O4S/c11-6-1-2-7(12)8(3-6)20(18,19)15(4-9(13)16)5-10(14)17/h1-3H,4-5,12H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 304.30 g/mol, XLogP of -1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62921884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).