3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide

C10H15BrN2O3S — CID 171548942

IUPAC3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide
SMILESCOc1ccc(Br)c(S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H15BrN2O3S/c1-10(2,3)13-17(14,15)9-7(11)5-6-8(12-9)16-4/h5-6,13H,1-4H3
InChIKeyCJZUZGXDGLJVKN-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.93
Rot. Bonds3

About 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide

3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide (PubChem CID 171548942) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide
PubChem CID171548942
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide
SMILESCOc1ccc(Br)c(S(=O)(=O)NC(C)(C)C)n1
InChIInChI=1S/C10H15BrN2O3S/c1-10(2,3)13-17(14,15)9-7(11)5-6-8(12-9)16-4/h5-6,13H,1-4H3
InChIKeyCJZUZGXDGLJVKN-UHFFFAOYSA-N
XLogP1.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-tert-butylpyridine-2-sulfonamide
CID 87463718
3-chloro-6-methoxypyridine-2-sulfonyl chloride
CID 55279487
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
N-tert-butyl-3-ethylpyridine-2-sulfonamide
CID 117064164
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
2,6-dimethoxypyridine-3-sulfonamide
CID 146109641
3-bromo-6-methoxy-2-propan-2-ylpyridine
CID 70868100
N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
CID 87537913
2,6-dimethoxy-N-propan-2-ylpyridine-3-sulfonamide
CID 165486634
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide?
The IUPAC name of 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide (CID 171548942) is 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide?
The canonical SMILES for 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide is COc1ccc(Br)c(S(=O)(=O)NC(C)(C)C)n1.
What is the InChIKey of 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide?
The InChIKey is CJZUZGXDGLJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-10(2,3)13-17(14,15)9-7(11)5-6-8(12-9)16-4/h5-6,13H,1-4H3.
What are the key properties of 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide?
3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide is sourced from PubChem (CID 171548942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).