2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide

C11H9F2N3O3S — CID 122301669

IUPAC2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C11H9F2N3O3S/c1-19-11-14-5-7(6-15-11)16-20(17,18)10-8(12)3-2-4-9(10)13/h2-6,16H,1H3
InChIKeyFWRVJCHSIKNTIL-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.56
Rot. Bonds4

About 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide

2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 122301669) has the molecular formula C11H9F2N3O3S and a molecular weight of 301.27 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID122301669
Molecular FormulaC11H9F2N3O3S
Molecular Weight301.27 g/mol
Exact Mass301.03
IUPAC Name2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C11H9F2N3O3S/c1-19-11-14-5-7(6-15-11)16-20(17,18)10-8(12)3-2-4-9(10)13/h2-6,16H,1H3
InChIKeyFWRVJCHSIKNTIL-UHFFFAOYSA-N
XLogP1.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide (CID 122301669) is 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide is COc1ncc(NS(=O)(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is FWRVJCHSIKNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3S/c1-19-11-14-5-7(6-15-11)16-20(17,18)10-8(12)3-2-4-9(10)13/h2-6,16H,1H3.
What are the key properties of 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 301.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122301669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).