N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide

C12H11F2N3O3S — CID 122302105

IUPACN-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C12H11F2N3O3S/c1-2-20-12-15-6-9(7-16-12)17-21(18,19)11-5-8(13)3-4-10(11)14/h3-7,17H,2H2,1H3
InChIKeyMFEQLWWSJZPGEQ-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.95
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide

N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 122302105) has the molecular formula C12H11F2N3O3S and a molecular weight of 315.30 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
PubChem CID122302105
Molecular FormulaC12H11F2N3O3S
Molecular Weight315.30 g/mol
Exact Mass315.05
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C12H11F2N3O3S/c1-2-20-12-15-6-9(7-16-12)17-21(18,19)11-5-8(13)3-4-10(11)14/h3-7,17H,2H2,1H3
InChIKeyMFEQLWWSJZPGEQ-UHFFFAOYSA-N
XLogP1.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
N-(2-chloropyrimidin-5-yl)-2-fluoro-5-methoxybenzenesulfonamide
CID 134589497
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide (CID 122302105) is N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is MFEQLWWSJZPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3S/c1-2-20-12-15-6-9(7-16-12)17-21(18,19)11-5-8(13)3-4-10(11)14/h3-7,17H,2H2,1H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide?
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 315.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 122302105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).