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

C20H24N2O2S — CID 2304844

IUPACN'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16-12-14-19(15-13-16)25(23,24)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyQQGWTKMTUUVXOA-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.05
Rot. Bonds4

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

N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2304844) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2304844
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16-12-14-19(15-13-16)25(23,24)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyQQGWTKMTUUVXOA-UHFFFAOYSA-N
XLogP4.05
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.05
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

4-((Benzylideneamino)methyl)benzenesulfonamide
CID 45483206
Ambcb5850328
CID 9586083
N-(benzenesulfonyl)-N'-(2-cyanoethyl)benzenecarboximidamide
CID 2305296
N-isopropyl-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 2946840
{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
CID 2177174
N-(benzenesulfonyl)-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 4414226
N-benzyl-N'-[(4-bromophenyl)sulfonyl]benzenecarboximidamide
CID 2945051
N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
CID 25231830
4-[(Benzylideneamino)methyl]benzenesulfonamide;hydrochloride
CID 90677341
N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
CID 2364800
N-(1-phenylethyl)-1,2-benzothiazol-3-amine 1,1-dioxide
CID 135440745
N-Benzyl-4-methanesulfonyl-benzamidine
CID 44374891

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2304844) is N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is QQGWTKMTUUVXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16-12-14-19(15-13-16)25(23,24)22-20(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,21,22).
What are the key properties of N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N'-cyclohexyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 356.49 g/mol, XLogP of 4.05, 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-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2304844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).