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

C13H11BrF2N2O3S — CID 66799418

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCOc1ncc(Br)cc1N(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O3S/c1-18(11-5-8(14)7-17-13(11)21-2)22(19,20)12-4-3-9(15)6-10(12)16/h3-7H,1-2H3
InChIKeyTXQQXFTVYDBNNG-UHFFFAOYSA-N
MW393.21 g/mol
LogP2.96
Rot. Bonds4

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

N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 66799418) has the molecular formula C13H11BrF2N2O3S and a molecular weight of 393.21 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID66799418
Molecular FormulaC13H11BrF2N2O3S
Molecular Weight393.21 g/mol
Exact Mass391.96
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCOc1ncc(Br)cc1N(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O3S/c1-18(11-5-8(14)7-17-13(11)21-2)22(19,20)12-4-3-9(15)6-10(12)16/h3-7H,1-2H3
InChIKeyTXQQXFTVYDBNNG-UHFFFAOYSA-N
XLogP2.96
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
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-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 66799418) is N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide is COc1ncc(Br)cc1N(C)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is TXQQXFTVYDBNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O3S/c1-18(11-5-8(14)7-17-13(11)21-2)22(19,20)12-4-3-9(15)6-10(12)16/h3-7H,1-2H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 393.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 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-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 66799418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).