N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide

C17H20N2O2S — CID 173274455

IUPACN,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide
SMILESCc1cccc(Cc2cccc(S(=O)(=O)N=CN(C)C)c2)c1
InChIInChI=1S/C17H20N2O2S/c1-14-6-4-7-15(10-14)11-16-8-5-9-17(12-16)22(20,21)18-13-19(2)3/h4-10,12-13H,11H2,1-3H3
InChIKeyXYRBKXFDEBGKTC-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.86
Rot. Bonds5

About N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide

N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide (PubChem CID 173274455) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide
PubChem CID173274455
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide
SMILESCc1cccc(Cc2cccc(S(=O)(=O)N=CN(C)C)c2)c1
InChIInChI=1S/C17H20N2O2S/c1-14-6-4-7-15(10-14)11-16-8-5-9-17(12-16)22(20,21)18-13-19(2)3/h4-10,12-13H,11H2,1-3H3
InChIKeyXYRBKXFDEBGKTC-UHFFFAOYSA-N
XLogP2.86
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.86
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

1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
N,N-dimethyl-N'-[4-methyl-3-(2-phenylethynyl)phenyl]sulfonylmethanimidamide
CID 143260871
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158013343
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
N,N-dimethylformamide;1,3-xylene
CID 175545564
N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
CID 60522673
2-methyl-N'-[(3-methylphenyl)methyl]prop-1-ene-1-sulfonohydrazide
CID 56975522

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide (CID 173274455) is N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide is Cc1cccc(Cc2cccc(S(=O)(=O)N=CN(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide?
The InChIKey is XYRBKXFDEBGKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14-6-4-7-15(10-14)11-16-8-5-9-17(12-16)22(20,21)18-13-19(2)3/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide?
N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide has a molecular weight of 316.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide is sourced from PubChem (CID 173274455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).