N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide

C16H19FN2O2S — CID 2811477

IUPACN-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O2S/c1-3-19(4-2)15-9-7-14(8-10-15)18-22(20,21)16-11-5-13(17)6-12-16/h5-12,18H,3-4H2,1-2H3
InChIKeyYQWFZBFVUSMBAT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide

N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 2811477) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide
PubChem CID2811477
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H19FN2O2S/c1-3-19(4-2)15-9-7-14(8-10-15)18-22(20,21)16-11-5-13(17)6-12-16/h5-12,18H,3-4H2,1-2H3
InChIKeyYQWFZBFVUSMBAT-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide (CID 2811477) is N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is YQWFZBFVUSMBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-3-19(4-2)15-9-7-14(8-10-15)18-22(20,21)16-11-5-13(17)6-12-16/h5-12,18H,3-4H2,1-2H3.
What are the key properties of N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2811477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).