N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide

C16H25FN2O3S — CID 56803780

IUPACN-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O3S/c1-3-19(4-2)16-6-5-13(11-15(16)17)12-18-23(20,21)14-7-9-22-10-8-14/h5-6,11,14,18H,3-4,7-10,12H2,1-2H3
InChIKeyCACLWKWHTADSBR-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.27
Rot. Bonds7

About N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide

N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide (PubChem CID 56803780) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide
PubChem CID56803780
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O3S/c1-3-19(4-2)16-6-5-13(11-15(16)17)12-18-23(20,21)14-7-9-22-10-8-14/h5-6,11,14,18H,3-4,7-10,12H2,1-2H3
InChIKeyCACLWKWHTADSBR-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide (CID 56803780) is N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide is CCN(CC)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F.
What is the InChIKey of N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The InChIKey is CACLWKWHTADSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-3-19(4-2)16-6-5-13(11-15(16)17)12-18-23(20,21)14-7-9-22-10-8-14/h5-6,11,14,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide?
N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide has a molecular weight of 344.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-3-fluorophenyl]methyl]oxane-4-sulfonamide is sourced from PubChem (CID 56803780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).