4-phenoxybenzenesulfonamide

C12H11NO3S — CID 838564

IUPAC4-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyJVMQLNXAPHLKDV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.13
Rot. Bonds3

About 4-phenoxybenzenesulfonamide

4-phenoxybenzenesulfonamide (PubChem CID 838564) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-phenoxybenzenesulfonamide.

Molecular Properties

Compound Name4-phenoxybenzenesulfonamide
PubChem CID838564
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name4-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyJVMQLNXAPHLKDV-UHFFFAOYSA-N
XLogP2.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxybenzenesulfonamide?
The IUPAC name of 4-phenoxybenzenesulfonamide (CID 838564) is 4-phenoxybenzenesulfonamide.
What is the SMILES notation for 4-phenoxybenzenesulfonamide?
The canonical SMILES for 4-phenoxybenzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxybenzenesulfonamide?
The InChIKey is JVMQLNXAPHLKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15).
What are the key properties of 4-phenoxybenzenesulfonamide?
4-phenoxybenzenesulfonamide has a molecular weight of 249.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzenesulfonamide is sourced from PubChem (CID 838564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).