4-bromo-N-phenylmethoxybenzenesulfonamide

C13H12BrNO3S — CID 45378388

IUPAC4-bromo-N-phenylmethoxybenzenesulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO3S/c14-12-6-8-13(9-7-12)19(16,17)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyBFEHZRRBFZHXIE-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.86
Rot. Bonds5

About 4-bromo-N-phenylmethoxybenzenesulfonamide

4-bromo-N-phenylmethoxybenzenesulfonamide (PubChem CID 45378388) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-bromo-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-phenylmethoxybenzenesulfonamide
PubChem CID45378388
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC Name4-bromo-N-phenylmethoxybenzenesulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO3S/c14-12-6-8-13(9-7-12)19(16,17)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyBFEHZRRBFZHXIE-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-phenylmethoxypyridine-3-sulfonamide
CID 64973868
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-bromo-N-(methoxymethoxy)benzenesulfonamide
CID 110504620
3-(phenylmethoxysulfamoyl)benzoate
CID 2529533
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
5-(phenylmethoxysulfamoyl)-2-propoxybenzoic acid
CID 113240417
5-bromo-3-methyl-N-phenylmethoxytriazole-4-sulfonamide
CID 106466270
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
4-bromo-N-phenylmethoxybenzamide
CID 41450559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-phenylmethoxybenzenesulfonamide (CID 45378388) is 4-bromo-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-phenylmethoxybenzenesulfonamide is O=S(=O)(NOCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-phenylmethoxybenzenesulfonamide?
The InChIKey is BFEHZRRBFZHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c14-12-6-8-13(9-7-12)19(16,17)15-18-10-11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of 4-bromo-N-phenylmethoxybenzenesulfonamide?
4-bromo-N-phenylmethoxybenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 45378388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).