4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide

C14H15BrN2O3S — CID 84563178

IUPAC4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15BrN2O3S/c1-9-7-10(2)17-14(18)13(9)8-16-21(19,20)12-5-3-11(15)4-6-12/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQWIRSKHEYMYHII-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.23
Rot. Bonds4

About 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide

4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide (PubChem CID 84563178) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide
PubChem CID84563178
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15BrN2O3S/c1-9-7-10(2)17-14(18)13(9)8-16-21(19,20)12-5-3-11(15)4-6-12/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQWIRSKHEYMYHII-UHFFFAOYSA-N
XLogP2.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide (CID 84563178) is 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide is Cc1cc(C)c(CNS(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1.
What is the InChIKey of 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide?
The InChIKey is QWIRSKHEYMYHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-7-10(2)17-14(18)13(9)8-16-21(19,20)12-5-3-11(15)4-6-12/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide?
4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 84563178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).