N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

C20H23FN2O2S — CID 4303673

IUPACN'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-9-11-17(21)12-10-16)22-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,22,23)
InChIKeyABECJXUBEBZHPX-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.19
Rot. Bonds4

About N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 4303673) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID4303673
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-9-11-17(21)12-10-16)22-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,22,23)
InChIKeyABECJXUBEBZHPX-UHFFFAOYSA-N
XLogP4.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.19
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-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 4303673) is N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is ABECJXUBEBZHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-15-7-13-19(14-8-15)26(24,25)23-20(16-9-11-17(21)12-10-16)22-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3,(H,22,23).
What are the key properties of N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 374.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 4303673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).