4-(2-phenylethoxy)benzenesulfonamide

C14H15NO3S — CID 43342475

IUPAC4-(2-phenylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
InChIKeyKCOWYSBKBBTXJM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.96
Rot. Bonds5

About 4-(2-phenylethoxy)benzenesulfonamide

4-(2-phenylethoxy)benzenesulfonamide (PubChem CID 43342475) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2-phenylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)benzenesulfonamide
PubChem CID43342475
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(2-phenylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
InChIKeyKCOWYSBKBBTXJM-UHFFFAOYSA-N
XLogP1.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)benzenesulfonamide?
The IUPAC name of 4-(2-phenylethoxy)benzenesulfonamide (CID 43342475) is 4-(2-phenylethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2-phenylethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2-phenylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)benzenesulfonamide?
The InChIKey is KCOWYSBKBBTXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17).
What are the key properties of 4-(2-phenylethoxy)benzenesulfonamide?
4-(2-phenylethoxy)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)benzenesulfonamide is sourced from PubChem (CID 43342475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).