2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide

C11H16FN3O3S — CID 43576035

IUPAC2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H16FN3O3S/c1-7(2)15(6-11(14)16)19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H2,14,16)
InChIKeyHNAFXTQPGPEBEM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.29
Rot. Bonds5

About 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide

2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 43576035) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID43576035
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H16FN3O3S/c1-7(2)15(6-11(14)16)19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H2,14,16)
InChIKeyHNAFXTQPGPEBEM-UHFFFAOYSA-N
XLogP0.29
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.29
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-[(3-cyano-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 63239746
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875
3-amino-N-(2-cyanoethyl)-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43577476
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
4-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]-2-chlorobenzoic acid
CID 107089932
methyl 3-[(3-amino-4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61141111
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576037
2-[(4-cyclohexylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 17470000
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzenecarbothioamide
CID 63288509

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide (CID 43576035) is 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is HNAFXTQPGPEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7(2)15(6-11(14)16)19(17,18)8-3-4-9(12)10(13)5-8/h3-5,7H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide?
2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 43576035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).