3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide

C12H17FN2O3S — CID 81192554

IUPAC3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-8(2)15-12(16)5-6-19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyCBKGTAFZTSSJIX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.10
Rot. Bonds5

About 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide

3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 81192554) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID81192554
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-8(2)15-12(16)5-6-19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyCBKGTAFZTSSJIX-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.10
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

3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 62627896
3-(3-amino-5-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81182771
3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81183138
2-(4-amino-2-fluoroanilino)-N-propan-2-ylacetamide
CID 43567846
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81192561
3-(4-amino-2,6-difluorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62627895
3-fluoro-4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid
CID 79187231
3-fluoro-4-hexylsulfonylaniline
CID 81191687
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
2-methyl-5-[3-oxo-3-(propan-2-ylamino)propyl]sulfonylbenzoic acid
CID 62625736
4-butan-2-ylsulfonyl-3-fluoroaniline
CID 81191829

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide (CID 81192554) is 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide is CC(C)NC(=O)CCS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is CBKGTAFZTSSJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8(2)15-12(16)5-6-19(17,18)11-4-3-9(14)7-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide?
3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 288.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 81192554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).