N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C17H20N2O3S — CID 27055363

IUPACN,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-9-11-14(12-10-13)23(21,22)19(4)16-8-6-5-7-15(16)17(20)18(2)3/h5-12H,1-4H3
InChIKeyAUURTGLXRHZQNE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.52
Rot. Bonds4

About N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 27055363) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID27055363
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-9-11-14(12-10-13)23(21,22)19(4)16-8-6-5-7-15(16)17(20)18(2)3/h5-12H,1-4H3
InChIKeyAUURTGLXRHZQNE-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46778138
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide
CID 126337845
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126337837
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909
N-(6-amino-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557679
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 126262288
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 27055363) is N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AUURTGLXRHZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-9-11-14(12-10-13)23(21,22)19(4)16-8-6-5-7-15(16)17(20)18(2)3/h5-12H,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 27055363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).