N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide

C21H20N2O2S — CID 134919978

IUPACN'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N\S(=O)(=O)Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-23(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)22-26(24,25)17-18-11-5-2-6-12-18/h2-16H,17H2,1H3/b22-21-
InChIKeyHGKMQEYPOGZOEE-DQRAZIAOSA-N
MW364.47 g/mol
LogP4.10
Rot. Bonds5

About N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide

N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide (PubChem CID 134919978) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide
PubChem CID134919978
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N\S(=O)(=O)Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-23(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)22-26(24,25)17-18-11-5-2-6-12-18/h2-16H,17H2,1H3/b22-21-
InChIKeyHGKMQEYPOGZOEE-DQRAZIAOSA-N
XLogP4.10
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.10
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-phenylbenzenecarboximidamide
CID 6519001
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-oxo-1-phenylmethanesulfonamide
CID 87885271
1,1-dibenzyl-3-methyl-3-phenyl-2-(trifluoromethylsulfonyl)guanidine
CID 138974992
N'-(benzenesulfonyl)-N-methyl-N-(3-nitrophenyl)benzenecarboximidamide
CID 2906200
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-(oxomethylidene)-1-phenylmethanesulfonamide
CID 14850654
N-(diethyl-λ4-sulfanylidene)-1-phenylmethanesulfonamide
CID 121219437
N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
CID 162418409
4-[benzylsulfonyl(methyl)amino]benzenecarbothioamide
CID 62971224

Frequently Asked Questions

What is the IUPAC name of N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide (CID 134919978) is N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide is CN(/C(=N\S(=O)(=O)Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide?
The InChIKey is HGKMQEYPOGZOEE-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)22-26(24,25)17-18-11-5-2-6-12-18/h2-16H,17H2,1H3/b22-21-.
What are the key properties of N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide?
N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide has a molecular weight of 364.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylsulfonyl-N-methyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 134919978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).