N,N-diethyl-4-phenoxybenzenesulfonamide

C16H19NO3S — CID 802736

IUPACN,N-diethyl-4-phenoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(4-2)21(18,19)16-12-10-15(11-13-16)20-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyWLYAZICOBONPRR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.51
Rot. Bonds6

About N,N-diethyl-4-phenoxybenzenesulfonamide

N,N-diethyl-4-phenoxybenzenesulfonamide (PubChem CID 802736) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,N-diethyl-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-phenoxybenzenesulfonamide
PubChem CID802736
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN,N-diethyl-4-phenoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(4-2)21(18,19)16-12-10-15(11-13-16)20-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyWLYAZICOBONPRR-UHFFFAOYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenoxybenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-phenoxybenzenesulfonamide (CID 802736) is N,N-diethyl-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-phenoxybenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-phenoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-phenoxybenzenesulfonamide?
The InChIKey is WLYAZICOBONPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-17(4-2)21(18,19)16-12-10-15(11-13-16)20-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-phenoxybenzenesulfonamide?
N,N-diethyl-4-phenoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 802736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).