3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

C17H21N3O5S2 — CID 100624777

IUPAC3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O5S2/c1-19(2)27(24,25)16-10-5-7-13(11-16)17(21)18-14-8-6-9-15(12-14)20(3)26(4,22)23/h5-12H,1-4H3,(H,18,21)
InChIKeyJZNVOKBOCCLSDV-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.59
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 100624777) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID100624777
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O5S2/c1-19(2)27(24,25)16-10-5-7-13(11-16)17(21)18-14-8-6-9-15(12-14)20(3)26(4,22)23/h5-12H,1-4H3,(H,18,21)
InChIKeyJZNVOKBOCCLSDV-UHFFFAOYSA-N
XLogP1.59
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 100624777) is 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is CN(c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1)S(C)(=O)=O.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is JZNVOKBOCCLSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-19(2)27(24,25)16-10-5-7-13(11-16)17(21)18-14-8-6-9-15(12-14)20(3)26(4,22)23/h5-12H,1-4H3,(H,18,21).
What are the key properties of 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 100624777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).