N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide

C17H19FN2O2S — CID 3495783

IUPACN,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESCCN(CC)C(=NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O2S/c1-3-20(4-2)17(14-8-6-5-7-9-14)19-23(21,22)16-12-10-15(18)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyDMNKPUYMRMTNRT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds5

About N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide

N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide (PubChem CID 3495783) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
PubChem CID3495783
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESCCN(CC)C(=NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O2S/c1-3-20(4-2)17(14-8-6-5-7-9-14)19-23(21,22)16-12-10-15(18)11-13-16/h5-13H,3-4H2,1-2H3
InChIKeyDMNKPUYMRMTNRT-UHFFFAOYSA-N
XLogP3.30
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide (CID 3495783) is N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide is CCN(CC)C(=NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is DMNKPUYMRMTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-3-20(4-2)17(14-8-6-5-7-9-14)19-23(21,22)16-12-10-15(18)11-13-16/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 334.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 3495783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).