N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide

C14H13BrF2N2O3S — CID 75504341

IUPACN-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H13BrF2N2O3S/c1-22-8-7-19(14-4-2-3-13(15)18-14)23(20,21)12-6-5-10(16)9-11(12)17/h2-6,9H,7-8H2,1H3
InChIKeyLDFMBGLGMSTHSO-UHFFFAOYSA-N
MW407.24 g/mol
LogP2.96
Rot. Bonds6

About N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide

N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 75504341) has the molecular formula C14H13BrF2N2O3S and a molecular weight of 407.24 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID75504341
Molecular FormulaC14H13BrF2N2O3S
Molecular Weight407.24 g/mol
Exact Mass405.98
IUPAC NameN-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H13BrF2N2O3S/c1-22-8-7-19(14-4-2-3-13(15)18-14)23(20,21)12-6-5-10(16)9-11(12)17/h2-6,9H,7-8H2,1H3
InChIKeyLDFMBGLGMSTHSO-UHFFFAOYSA-N
XLogP2.96
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 75504341) is N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is LDFMBGLGMSTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O3S/c1-22-8-7-19(14-4-2-3-13(15)18-14)23(20,21)12-6-5-10(16)9-11(12)17/h2-6,9H,7-8H2,1H3.
What are the key properties of N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 407.24 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 75504341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).