N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide

C15H16N2O3S — CID 60892970

IUPACN-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyHDAKMSLKLGSNIA-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.60
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide

N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide (PubChem CID 60892970) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
PubChem CID60892970
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyHDAKMSLKLGSNIA-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
4-methylsulfonylbenzohydrazide
CID 11042107
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
5-amino-N-[(4-methylsulfonylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617105
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide (CID 60892970) is N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is HDAKMSLKLGSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(19,20)14-8-4-12(5-9-14)15(18)17-10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide?
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 304.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 60892970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).