N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide

C18H14FN3O2S — CID 6024373

IUPACN'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(/N=C(/Nc1ccccn1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22)
InChIKeyJHJJGCZZFXCPJT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide

N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide (PubChem CID 6024373) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
PubChem CID6024373
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(/N=C(/Nc1ccccn1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22)
InChIKeyJHJJGCZZFXCPJT-UHFFFAOYSA-N
XLogP3.47
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
CID 6856060
N-[4-(2-aminoacetyl)phenyl]-N'-(benzenesulfonyl)-4-fluorobenzenecarboximidamide
CID 170860750
N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
CID 5049025
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
(NE)-4-fluoro-N-[phenyl(pyrrolidin-1-yl)methylidene]benzenesulfonamide
CID 6359531
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide (CID 6024373) is N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide is O=S(=O)(/N=C(/Nc1ccccn1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The InChIKey is JHJJGCZZFXCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide has a molecular weight of 355.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide is sourced from PubChem (CID 6024373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).