5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C11H12BrClN4O2S — CID 61298899

IUPAC5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c1-6-10(7(2)17(3)15-6)16-20(18,19)9-4-8(12)5-14-11(9)13/h4-5,16H,1-3H3
InChIKeyGKIFBOJMDRTBBP-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.65
Rot. Bonds3

About 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 61298899) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID61298899
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC Name5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H12BrClN4O2S/c1-6-10(7(2)17(3)15-6)16-20(18,19)9-4-8(12)5-14-11(9)13/h4-5,16H,1-3H3
InChIKeyGKIFBOJMDRTBBP-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
5-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-sulfonamide
CID 61298510
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 61298899) is 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is GKIFBOJMDRTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c1-6-10(7(2)17(3)15-6)16-20(18,19)9-4-8(12)5-14-11(9)13/h4-5,16H,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61298899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).