2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide

C11H14BrFN2O3S — CID 60824850

IUPAC2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(13)6-9(10)12/h3-4,6,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyYOCOTGGMKFLMGE-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.39
Rot. Bonds6

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

2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 60824850) 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-propylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
PubChem CID60824850
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(13)6-9(10)12/h3-4,6,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyYOCOTGGMKFLMGE-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 103077297
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
CID 17428914
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-[(5-bromo-2-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 61016948
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide (CID 60824850) is 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is YOCOTGGMKFLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(13)6-9(10)12/h3-4,6,15H,2,5,7H2,1H3,(H,14,16).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 353.21 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 60824850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).