5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide

C11H13BrN4O3S — CID 126832864

IUPAC5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C11H13BrN4O3S/c1-7-4-10(14-16(7)2)15-20(17,18)9-5-8(12)6-13-11(9)19-3/h4-6H,1-3H3,(H,14,15)
InChIKeyVDAPMRAYORQWCM-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.70
Rot. Bonds4

About 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide

5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide (PubChem CID 126832864) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
PubChem CID126832864
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C11H13BrN4O3S/c1-7-4-10(14-16(7)2)15-20(17,18)9-5-8(12)6-13-11(9)19-3/h4-6H,1-3H3,(H,14,15)
InChIKeyVDAPMRAYORQWCM-UHFFFAOYSA-N
XLogP1.70
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
CID 91648724
5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
CID 71131413
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899
5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 160805742
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 166752154
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 114255316
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
5-bromo-N-(1,5-dimethylpyrazol-3-yl)pyridin-3-amine
CID 130496929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide (CID 126832864) is 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide is COc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)n(C)n1.
What is the InChIKey of 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide?
The InChIKey is VDAPMRAYORQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-7-4-10(14-16(7)2)15-20(17,18)9-5-8(12)6-13-11(9)19-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide?
5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 126832864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).