3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide

C11H15BrFN3O3S — CID 106095528

IUPAC3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H15BrFN3O3S/c1-11(2,5-10(15)17)16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyBNAFYYONTIIINB-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.10
Rot. Bonds5

About 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide

3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106095528) has the molecular formula C11H15BrFN3O3S and a molecular weight of 368.23 g/mol. Its IUPAC name is 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106095528
Molecular FormulaC11H15BrFN3O3S
Molecular Weight368.23 g/mol
Exact Mass367.00
IUPAC Name3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H15BrFN3O3S/c1-11(2,5-10(15)17)16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17)
InChIKeyBNAFYYONTIIINB-UHFFFAOYSA-N
XLogP1.10
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.10
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

3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
3-[(2-amino-4,6-dibromophenyl)sulfonylamino]-3-methylbutanamide
CID 106095490
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
1-(5-amino-2-bromo-4-fluorophenyl)sulfonyl-3-tert-butylurea
CID 116646532
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
5-amino-4-bromo-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 116530284

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 106095528) is 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NS(=O)(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is BNAFYYONTIIINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O3S/c1-11(2,5-10(15)17)16-20(18,19)9-4-8(14)7(13)3-6(9)12/h3-4,16H,5,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide?
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 368.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106095528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).