N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide

C15H16N2O3S — CID 61297490

IUPACN-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(N)c1
InChIInChI=1S/C15H16N2O3S/c1-17(13-7-4-6-12(16)10-13)15(18)11-5-3-8-14(9-11)21(2,19)20/h3-10H,16H2,1-2H3
InChIKeyWCGUYRAAERVHPG-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.95
Rot. Bonds3

About N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide

N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide (PubChem CID 61297490) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
PubChem CID61297490
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(N)c1
InChIInChI=1S/C15H16N2O3S/c1-17(13-7-4-6-12(16)10-13)15(18)11-5-3-8-14(9-11)21(2,19)20/h3-10H,16H2,1-2H3
InChIKeyWCGUYRAAERVHPG-UHFFFAOYSA-N
XLogP1.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
N-(3-aminophenyl)-N-methylnaphthalene-2-carboxamide
CID 61296378
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 67665242
N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 47087047
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-(3-aminophenyl)-N,2,3-trimethylbenzamide
CID 61296941
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
(3-methylsulfonylbenzoyl)azanium
CID 163693398
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
1-(dimethylamino)-1-(3-methylsulfonylbenzoyl)guanidine
CID 159787352

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide (CID 61297490) is N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide is CN(C(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is WCGUYRAAERVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(13-7-4-6-12(16)10-13)15(18)11-5-3-8-14(9-11)21(2,19)20/h3-10H,16H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide?
N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 304.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 61297490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).