2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide

C11H16FN3O3S — CID 43567667

IUPAC2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H16FN3O3S/c1-7(2)15-11(16)6-14-19(17,18)10-5-8(13)3-4-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeySILGANMQDZOWSL-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.21
Rot. Bonds5

About 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43567667) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43567667
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H16FN3O3S/c1-7(2)15-11(16)6-14-19(17,18)10-5-8(13)3-4-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16)
InChIKeySILGANMQDZOWSL-UHFFFAOYSA-N
XLogP0.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 106491434
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846
5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79552160
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179689
3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81192554
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103077298

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 43567667) is 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is SILGANMQDZOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7(2)15-11(16)6-14-19(17,18)10-5-8(13)3-4-9(10)12/h3-5,7,14H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 289.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).