N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide

C19H15FN2O2S — CID 2177177

IUPACN'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccc1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H15FN2O2S/c20-16-13-11-15(12-14-16)19(21-17-7-3-1-4-8-17)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22)
InChIKeyUXUZCSWQVABARC-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.07
Rot. Bonds4

About N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide

N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide (PubChem CID 2177177) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
PubChem CID2177177
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccc1)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H15FN2O2S/c20-16-13-11-15(12-14-16)19(21-17-7-3-1-4-8-17)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22)
InChIKeyUXUZCSWQVABARC-UHFFFAOYSA-N
XLogP4.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.07
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'}

Analyze N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-aminoacetyl)phenyl]-N'-(benzenesulfonyl)-4-fluorobenzenecarboximidamide
CID 170860750
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(4-fluorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
CID 6024373
N'-(benzenesulfonyl)-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-fluorobenzenecarboximidamide
CID 3394950
(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
CID 18871869
1-[[N'-(benzenesulfonyl)-N-[(4-fluorophenyl)carbamothioylamino]carbamimidoyl]amino]-3-(4-fluorophenyl)thiourea
CID 2803774
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide (CID 2177177) is N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide is O=S(=O)(N=C(Nc1ccccc1)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide?
The InChIKey is UXUZCSWQVABARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-16-13-11-15(12-14-16)19(21-17-7-3-1-4-8-17)22-25(23,24)18-9-5-2-6-10-18/h1-14H,(H,21,22).
What are the key properties of N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide?
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide has a molecular weight of 354.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 2177177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).