4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide

C17H18BrFN2O3S — CID 2216524

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18BrFN2O3S/c1-21(25(23,24)14-6-3-2-4-7-14)11-5-8-17(22)20-16-10-9-13(18)12-15(16)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22)
InChIKeyCNSJOTMNLBJXTM-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.63
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide

4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide (PubChem CID 2216524) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
PubChem CID2216524
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18BrFN2O3S/c1-21(25(23,24)14-6-3-2-4-7-14)11-5-8-17(22)20-16-10-9-13(18)12-15(16)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22)
InChIKeyCNSJOTMNLBJXTM-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide (CID 2216524) is 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide is CN(CCCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide?
The InChIKey is CNSJOTMNLBJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c1-21(25(23,24)14-6-3-2-4-7-14)11-5-8-17(22)20-16-10-9-13(18)12-15(16)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,22).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide?
4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide has a molecular weight of 429.31 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(4-bromo-2-fluorophenyl)butanamide is sourced from PubChem (CID 2216524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).