4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide

C12H11BrN2O3S — CID 6471140

IUPAC4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1Br
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15)
InChIKeyFSMTUWREXXUEJH-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide

4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 6471140) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
PubChem CID6471140
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1Br
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15)
InChIKeyFSMTUWREXXUEJH-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide (CID 6471140) is 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccncc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is FSMTUWREXXUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15).
What are the key properties of 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide?
4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 6471140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).