2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide

C11H12FN3O3S — CID 81191698

IUPAC2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O3S/c12-9-6-8(14)2-3-10(9)19(17,18)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16)
InChIKeyRRBNGXWAVFDLFW-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.21
Rot. Bonds5

About 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide

2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide (PubChem CID 81191698) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide
PubChem CID81191698
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O3S/c12-9-6-8(14)2-3-10(9)19(17,18)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16)
InChIKeyRRBNGXWAVFDLFW-UHFFFAOYSA-N
XLogP0.21
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylphenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 81193116
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164
2-(4-amino-2-fluorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185010
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 61368216
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81192554
3-[2-(cyanomethylamino)-2-oxoethyl]sulfonyl-2,6-difluorobenzoic acid
CID 43323721
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
[2-(2-cyanoethylamino)-2-oxoethyl] 3-amino-4-fluorobenzoate
CID 61321672
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
3-fluoro-4-(pyrimidin-2-ylmethylsulfonyl)aniline
CID 81193163

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide (CID 81191698) is 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide?
The InChIKey is RRBNGXWAVFDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c12-9-6-8(14)2-3-10(9)19(17,18)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide?
2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfonyl-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 81191698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).