2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide

C11H13BrF2N2O3S — CID 60628452

IUPAC2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O3S/c1-2-3-15-10(17)6-16-20(18,19)11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeySGOKLZFQTBVTFX-UHFFFAOYSA-N
MW371.20 g/mol
LogP1.53
Rot. Bonds6

About 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 60628452) has the molecular formula C11H13BrF2N2O3S and a molecular weight of 371.20 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
PubChem CID60628452
Molecular FormulaC11H13BrF2N2O3S
Molecular Weight371.20 g/mol
Exact Mass369.98
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O3S/c1-2-3-15-10(17)6-16-20(18,19)11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeySGOKLZFQTBVTFX-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106143817
2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
CID 107328705
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide (CID 60628452) is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is SGOKLZFQTBVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O3S/c1-2-3-15-10(17)6-16-20(18,19)11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide?
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 371.20 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 60628452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).