4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide

C15H16N2O3S — CID 81184173

IUPAC4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(N)=O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3S/c1-10-2-7-14(13(16)8-10)21(19,20)9-11-3-5-12(6-4-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyNAPITZGTZIJDOY-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.65
Rot. Bonds4

About 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide

4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide (PubChem CID 81184173) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
PubChem CID81184173
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(N)=O)cc2)c(N)c1
InChIInChI=1S/C15H16N2O3S/c1-10-2-7-14(13(16)8-10)21(19,20)9-11-3-5-12(6-4-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyNAPITZGTZIJDOY-UHFFFAOYSA-N
XLogP1.65
TPSA103.25 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylsulfonyl]-5-methylaniline
CID 81192578
2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
5-bromo-2-[(4-methylphenyl)methylsulfonyl]aniline
CID 81184257
3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
CID 81193096
2-[(2,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81193184
2-[(3-methoxyphenyl)methylsulfonyl]-5-methylaniline
CID 81193072
2-[(4-bromophenyl)methylsulfonyl]-4-methylaniline
CID 81183054
methyl 3-amino-4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]benzoate
CID 172616296
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
CID 107889485
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
4-[(2-amino-4-methylphenyl)sulfonylmethyl]pyridine-2-carbonitrile
CID 81191591
5-methyl-2-(oxolan-2-ylmethylsulfonyl)aniline
CID 81180714

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide?
The IUPAC name of 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide (CID 81184173) is 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide is Cc1ccc(S(=O)(=O)Cc2ccc(C(N)=O)cc2)c(N)c1.
What is the InChIKey of 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide?
The InChIKey is NAPITZGTZIJDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-2-7-14(13(16)8-10)21(19,20)9-11-3-5-12(6-4-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide?
4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide has a molecular weight of 304.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81184173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).