N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide

C21H19FN2O2S — CID 2364800

IUPACN'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccccc1S(=O)(=O)N/C(=N/Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-16-7-5-6-10-20(16)27(25,26)24-21(18-8-3-2-4-9-18)23-15-17-11-13-19(22)14-12-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyJGACODNPPGVORG-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.06
Rot. Bonds5

About N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide

N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2364800) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2364800
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccccc1S(=O)(=O)N/C(=N/Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H19FN2O2S/c1-16-7-5-6-10-20(16)27(25,26)24-21(18-8-3-2-4-9-18)23-15-17-11-13-19(22)14-12-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyJGACODNPPGVORG-UHFFFAOYSA-N
XLogP4.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.06
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

Ambcb5850328
CID 9586083
N-(benzenesulfonyl)-N'-(2-cyanoethyl)benzenecarboximidamide
CID 2305296
N-isopropyl-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 2946840
N,N-diethyl-N'-[(4-fluorophenyl)sulfonyl]benzenecarboximidamide
CID 5843125
2-fluoro-N-(N-phenethylcarbamimidoyl)benzenesulfonamide
CID 7197398
N-(benzenesulfonyl)-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 4414226
1,2-Benzisothiazol-3-amine, N-(phenylmethyl)-, 1,1-dioxide
CID 135401644
N-benzyl-N'-[(4-bromophenyl)sulfonyl]benzenecarboximidamide
CID 2945051
N-benzyl-N'-[(4-chlorophenyl)sulfonyl]-4-fluorobenzenecarboximidamide
CID 2946547
4-fluoro-N-(N-phenethylcarbamimidoyl)benzenesulfonamide
CID 7197384
N-(1-phenylethyl)-1,2-benzothiazol-3-amine 1,1-dioxide
CID 135440745
N-benzyl-2-fluoro-N'-(phenylsulfonyl)benzenecarboximidamide
CID 2946972

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide (CID 2364800) is N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccccc1S(=O)(=O)N/C(=N/Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is JGACODNPPGVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-16-7-5-6-10-20(16)27(25,26)24-21(18-8-3-2-4-9-18)23-15-17-11-13-19(22)14-12-17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide?
N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 382.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2364800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).