2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C17H20N2O3S — CID 39846063

IUPAC2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-10-8-11(2)16(12(3)9-10)23(21,22)19-15-7-5-6-14(13(15)4)17(18)20/h5-9,19H,1-4H3,(H2,18,20)
InChIKeyHPJUGOMOVFPXRD-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 39846063) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID39846063
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-10-8-11(2)16(12(3)9-10)23(21,22)19-15-7-5-6-14(13(15)4)17(18)20/h5-9,19H,1-4H3,(H2,18,20)
InChIKeyHPJUGOMOVFPXRD-UHFFFAOYSA-N
XLogP2.82
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665
cyanomethyl 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16578360
3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
CID 47073253
3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 43709519
N-[(3-chlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 46101926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 39846063) is 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c(C)c1.
What is the InChIKey of 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is HPJUGOMOVFPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10-8-11(2)16(12(3)9-10)23(21,22)19-15-7-5-6-14(13(15)4)17(18)20/h5-9,19H,1-4H3,(H2,18,20).
What are the key properties of 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 39846063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).