N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

C12H9BrF2N2O3S — CID 59859951

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O3S/c1-20-12-10(4-7(13)6-16-12)17-21(18,19)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3
InChIKeyKOPZSDXCMOPQKR-UHFFFAOYSA-N
MW379.18 g/mol
LogP2.93
Rot. Bonds4

About N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 59859951) has the molecular formula C12H9BrF2N2O3S and a molecular weight of 379.18 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID59859951
Molecular FormulaC12H9BrF2N2O3S
Molecular Weight379.18 g/mol
Exact Mass377.95
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O3S/c1-20-12-10(4-7(13)6-16-12)17-21(18,19)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3
InChIKeyKOPZSDXCMOPQKR-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 59859951) is N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is KOPZSDXCMOPQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O3S/c1-20-12-10(4-7(13)6-16-12)17-21(18,19)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 379.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 59859951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).