N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide

C19H21FN2O2S — CID 2946189

IUPACN'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/C1CCCCC1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-16-11-13-18(14-12-16)25(23,24)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyCGEUBRPYBXSXBP-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.88
Rot. Bonds4

About N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide

N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide (PubChem CID 2946189) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
PubChem CID2946189
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/C1CCCCC1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-16-11-13-18(14-12-16)25(23,24)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyCGEUBRPYBXSXBP-UHFFFAOYSA-N
XLogP3.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide (CID 2946189) is N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide is O=S(=O)(N/C(=N/C1CCCCC1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is CGEUBRPYBXSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-11-13-18(14-12-16)25(23,24)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22).
What are the key properties of N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 360.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2946189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).