5-bromo-N-phenylmethoxypyridine-3-sulfonamide

C12H11BrN2O3S — CID 64973868

IUPAC5-bromo-N-phenylmethoxypyridine-3-sulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O3S/c13-11-6-12(8-14-7-11)19(16,17)15-18-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyPVZLHSQEKJEBPF-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.25
Rot. Bonds5

About 5-bromo-N-phenylmethoxypyridine-3-sulfonamide

5-bromo-N-phenylmethoxypyridine-3-sulfonamide (PubChem CID 64973868) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 5-bromo-N-phenylmethoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-phenylmethoxypyridine-3-sulfonamide
PubChem CID64973868
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name5-bromo-N-phenylmethoxypyridine-3-sulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C12H11BrN2O3S/c13-11-6-12(8-14-7-11)19(16,17)15-18-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyPVZLHSQEKJEBPF-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
3-bromo-5-phenylmethoxypyridine
CID 15389198
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
3-(phenylmethoxysulfamoyl)benzoate
CID 2529533
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
5-bromo-3-methyl-N-phenylmethoxytriazole-4-sulfonamide
CID 106466270
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
CID 116814286
5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-phenylmethoxypyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-phenylmethoxypyridine-3-sulfonamide (CID 64973868) is 5-bromo-N-phenylmethoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-phenylmethoxypyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-phenylmethoxypyridine-3-sulfonamide is O=S(=O)(NOCc1ccccc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-phenylmethoxypyridine-3-sulfonamide?
The InChIKey is PVZLHSQEKJEBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c13-11-6-12(8-14-7-11)19(16,17)15-18-9-10-4-2-1-3-5-10/h1-8,15H,9H2.
What are the key properties of 5-bromo-N-phenylmethoxypyridine-3-sulfonamide?
5-bromo-N-phenylmethoxypyridine-3-sulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-phenylmethoxypyridine-3-sulfonamide is sourced from PubChem (CID 64973868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).