2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H14BrFN2O3S — CID 47304636

IUPAC2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14BrFN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(13)6-9(10)12/h4-7,14H,1-3H3
InChIKeyTYCVCDUUUZICAX-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.34
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 47304636) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID47304636
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)C(=O)N(C)C
InChIInChI=1S/C11H14BrFN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(13)6-9(10)12/h4-7,14H,1-3H3
InChIKeyTYCVCDUUUZICAX-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 80708114
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
2-[(2-bromo-4-fluorophenyl)sulfonyl-methylamino]propanoic acid
CID 55096582
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103077310
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 47304636) is 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CC(NS(=O)(=O)c1ccc(F)cc1Br)C(=O)N(C)C.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is TYCVCDUUUZICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c1-7(11(16)15(2)3)14-19(17,18)10-5-4-8(13)6-9(10)12/h4-7,14H,1-3H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 353.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 47304636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).