4-[(4-bromophenyl)methoxy]benzenesulfonamide

C13H12BrNO3S — CID 43329592

IUPAC4-[(4-bromophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
InChIKeyCTOJDCKSBKGPMU-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.68
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]benzenesulfonamide

4-[(4-bromophenyl)methoxy]benzenesulfonamide (PubChem CID 43329592) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]benzenesulfonamide
PubChem CID43329592
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC Name4-[(4-bromophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
InChIKeyCTOJDCKSBKGPMU-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]benzenesulfonamide (CID 43329592) is 4-[(4-bromophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]benzenesulfonamide?
The InChIKey is CTOJDCKSBKGPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17).
What are the key properties of 4-[(4-bromophenyl)methoxy]benzenesulfonamide?
4-[(4-bromophenyl)methoxy]benzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43329592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).