N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide

C10H11BrN4O2S — CID 81422727

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H11BrN4O2S/c1-7-3-8(11)4-12-10(7)14-18(16,17)9-5-13-15(2)6-9/h3-6H,1-2H3,(H,12,14)
InChIKeyIYIFCCPCGQXYQJ-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.69
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 81422727) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
PubChem CID81422727
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H11BrN4O2S/c1-7-3-8(11)4-12-10(7)14-18(16,17)9-5-13-15(2)6-9/h3-6H,1-2H3,(H,12,14)
InChIKeyIYIFCCPCGQXYQJ-UHFFFAOYSA-N
XLogP1.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757
N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 81422954
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 81421377
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide (CID 81422727) is N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is IYIFCCPCGQXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c1-7-3-8(11)4-12-10(7)14-18(16,17)9-5-13-15(2)6-9/h3-6H,1-2H3,(H,12,14).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 81422727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).