2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H15BrN2O2S — CID 6461315

IUPAC2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-13(15)14(8-11(10)2)20(18,19)17-9-12-3-5-16-6-4-12/h3-8,17H,9H2,1-2H3
InChIKeyDZDWBXBWXPKYLD-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.94
Rot. Bonds4

About 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 6461315) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID6461315
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-13(15)14(8-11(10)2)20(18,19)17-9-12-3-5-16-6-4-12/h3-8,17H,9H2,1-2H3
InChIKeyDZDWBXBWXPKYLD-UHFFFAOYSA-N
XLogP2.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 6461315) is 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCc2ccncc2)cc1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is DZDWBXBWXPKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-7-13(15)14(8-11(10)2)20(18,19)17-9-12-3-5-16-6-4-12/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).