3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide

C15H16N2O3S — CID 81193096

IUPAC3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(N)c(S(=O)(=O)Cc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-13(16)14(7-10)21(19,20)9-11-3-2-4-12(8-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFJJLCGIURHGSMI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.65
Rot. Bonds4

About 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide

3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide (PubChem CID 81193096) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
PubChem CID81193096
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide
SMILESCc1ccc(N)c(S(=O)(=O)Cc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H16N2O3S/c1-10-5-6-13(16)14(7-10)21(19,20)9-11-3-2-4-12(8-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyFJJLCGIURHGSMI-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

3-[(2-amino-5-bromophenyl)sulfonylmethyl]benzamide
CID 81201482
3-[(2-amino-5-methylphenyl)sulfonylmethyl]phenol
CID 81183738
4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
CID 81184173
2-[(4-bromophenyl)methylsulfonyl]-4-methylaniline
CID 81183054
3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
CID 129059199
4-methyl-2-[(4-nitrophenyl)methylsulfonyl]aniline
CID 81192616
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]-4-methylaniline
CID 81191620
4-amino-3-propylsulfonylbenzamide
CID 63355743
4-bromo-2-[(3-bromophenyl)methylsulfonyl]aniline
CID 81207588
2-[(3-methoxyphenyl)methylsulfonyl]-5-methylaniline
CID 81193072
5-chloro-2-[(3-methylphenyl)methylsulfonyl]aniline
CID 81176243

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide?
The IUPAC name of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide (CID 81193096) is 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide is Cc1ccc(N)c(S(=O)(=O)Cc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide?
The InChIKey is FJJLCGIURHGSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-5-6-13(16)14(7-10)21(19,20)9-11-3-2-4-12(8-11)15(17)18/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide?
3-[(2-amino-5-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 3-[(2-amino-5-methylphenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81193096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).