N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide

C20H16ClFN2O2S — CID 2946547

IUPACN'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/Cc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O2S/c21-17-8-12-19(13-9-17)27(25,26)24-20(16-6-10-18(22)11-7-16)23-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24)
InChIKeyDTSDNADUUUPBPU-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.40
Rot. Bonds5

About N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide

N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide (PubChem CID 2946547) has the molecular formula C20H16ClFN2O2S and a molecular weight of 402.88 g/mol. Its IUPAC name is N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide
PubChem CID2946547
Molecular FormulaC20H16ClFN2O2S
Molecular Weight402.88 g/mol
Exact Mass402.06
IUPAC NameN'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/Cc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O2S/c21-17-8-12-19(13-9-17)27(25,26)24-20(16-6-10-18(22)11-7-16)23-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24)
InChIKeyDTSDNADUUUPBPU-UHFFFAOYSA-N
XLogP4.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.40
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'}

Analyze N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide (CID 2946547) is N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide is O=S(=O)(N/C(=N/Cc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide?
The InChIKey is DTSDNADUUUPBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2S/c21-17-8-12-19(13-9-17)27(25,26)24-20(16-6-10-18(22)11-7-16)23-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24).
What are the key properties of N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide?
N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide has a molecular weight of 402.88 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-chlorophenyl)sulfonyl-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 2946547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).