4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide

C12H17FN2O3S — CID 81192561

IUPAC4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-15(2)12(16)4-3-7-19(17,18)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyUBQKIDSCDSYTTB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.05
Rot. Bonds5

About 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide

4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide (PubChem CID 81192561) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
PubChem CID81192561
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-15(2)12(16)4-3-7-19(17,18)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyUBQKIDSCDSYTTB-UHFFFAOYSA-N
XLogP1.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide (CID 81192561) is 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide?
The InChIKey is UBQKIDSCDSYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-15(2)12(16)4-3-7-19(17,18)11-6-5-9(14)8-10(11)13/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide?
4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide has a molecular weight of 288.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)sulfonyl-N,N-dimethylbutanamide is sourced from PubChem (CID 81192561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).