5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

C12H11BrN2O3S — CID 839345

IUPAC5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyYHDDOUXZNLIMJG-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 839345) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID839345
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
InChIKeyYHDDOUXZNLIMJG-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 839345) is 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YHDDOUXZNLIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3.
What are the key properties of 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 839345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).