N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide

C15H15FN2O2S — CID 6375711

IUPACN'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-18(2)15(12-8-10-13(16)11-9-12)17-21(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15-
InChIKeyGDYNSYNVRBXFNN-ICFOKQHNSA-N
MW306.36 g/mol
LogP2.52
Rot. Bonds3

About N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide

N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide (PubChem CID 6375711) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide
PubChem CID6375711
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-18(2)15(12-8-10-13(16)11-9-12)17-21(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15-
InChIKeyGDYNSYNVRBXFNN-ICFOKQHNSA-N
XLogP2.52
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.52
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'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide (CID 6375711) is N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide is CN(C)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide?
The InChIKey is GDYNSYNVRBXFNN-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-18(2)15(12-8-10-13(16)11-9-12)17-21(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15-.
What are the key properties of N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide?
N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide has a molecular weight of 306.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-fluoro-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 6375711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).