N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide

C20H17FN2O2S — CID 6195854

IUPACN'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1N/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyNMAGOCRMFGDFKM-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.38
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide

N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide (PubChem CID 6195854) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
PubChem CID6195854
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1N/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23)
InChIKeyNMAGOCRMFGDFKM-UHFFFAOYSA-N
XLogP4.38
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
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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Related Compounds

N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
CID 6024373
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
CID 5049025
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027
N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
CID 46368553
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(benzenesulfonyl)-N-[4-[4-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]sulfamoyl]-3-methylphenyl]-2-methylphenyl]benzenecarboximidamide
CID 5044534
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide (CID 6195854) is N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide is Cc1ccccc1N/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
The InChIKey is NMAGOCRMFGDFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-15-7-5-6-10-19(15)22-20(16-8-3-2-4-9-16)23-26(24,25)18-13-11-17(21)12-14-18/h2-14H,1H3,(H,22,23).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide?
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide has a molecular weight of 368.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 6195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).