3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C12H11BrClN3O3S — CID 106704205

IUPAC3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C12H11BrClN3O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWSZZCUVKUPLUIK-UHFFFAOYSA-N
MW392.66 g/mol
LogP3.01
Rot. Bonds4

About 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 106704205) has the molecular formula C12H11BrClN3O3S and a molecular weight of 392.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID106704205
Molecular FormulaC12H11BrClN3O3S
Molecular Weight392.66 g/mol
Exact Mass390.94
IUPAC Name3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C12H11BrClN3O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeyWSZZCUVKUPLUIK-UHFFFAOYSA-N
XLogP3.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 106704205) is 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is WSZZCUVKUPLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 392.66 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 106704205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).