N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide

C20H18N2O2S — CID 6519001

IUPACN'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-22(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)21-25(23,24)19-15-9-4-10-16-19/h2-16H,1H3/b21-20+
InChIKeyIYTNMNAZVDVEBJ-QZQOTICOSA-N
MW350.44 g/mol
LogP3.96
Rot. Bonds4

About N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide

N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide (PubChem CID 6519001) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
PubChem CID6519001
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-22(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)21-25(23,24)19-15-9-4-10-16-19/h2-16H,1H3/b21-20+
InChIKeyIYTNMNAZVDVEBJ-QZQOTICOSA-N
XLogP3.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-(benzenesulfonyl)-N-methyl-N-(3-nitrophenyl)benzenecarboximidamide
CID 2906200
N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide
CID 134919978
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N'-(benzenesulfonyl)-N,N-di(pentan-2-yl)benzenecarboximidamide
CID 18477611
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
N'-(benzenesulfonyl)-4-chloro-N,N-diethylbenzenecarboximidamide
CID 6020592
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
ethyl N-(benzenesulfonyl)benzenecarboximidate
CID 21203329
(NZ)-N-[[tert-butyl(dimethyl)silyl]-phenylmethylidene]benzenesulfonamide
CID 164665268
(1Z)-N-(benzenesulfonyl)-3,3-bis(dimethylamino)prop-2-enimidoyl chloride
CID 134875611
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide (CID 6519001) is N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide is CN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide?
The InChIKey is IYTNMNAZVDVEBJ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-22(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)21-25(23,24)19-15-9-4-10-16-19/h2-16H,1H3/b21-20+.
What are the key properties of N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide?
N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide has a molecular weight of 350.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 6519001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).