4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H11BrN2O3S — CID 2078535

IUPAC4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-7-4-10(8-14-12)15-19(16,17)11-5-2-9(13)3-6-11/h2-8,15H,1H3
InChIKeyWYXISUZQNKBRCE-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2078535) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID2078535
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-7-4-10(8-14-12)15-19(16,17)11-5-2-9(13)3-6-11/h2-8,15H,1H3
InChIKeyWYXISUZQNKBRCE-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 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 2078535) is 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is WYXISUZQNKBRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-12-7-4-10(8-14-12)15-19(16,17)11-5-2-9(13)3-6-11/h2-8,15H,1H3.
What are the key properties of 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide 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 4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2078535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).