N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide

C17H20N2O5S2 — CID 55846283

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-19(2)26(23,24)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)25(3,21)22/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHNGLIBBXGWDVIT-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.27
Rot. Bonds6

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide (PubChem CID 55846283) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
PubChem CID55846283
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-19(2)26(23,24)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)25(3,21)22/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHNGLIBBXGWDVIT-UHFFFAOYSA-N
XLogP1.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902266
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide (CID 55846283) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide?
The InChIKey is HNGLIBBXGWDVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-19(2)26(23,24)15-9-7-13(8-10-15)12-18-17(20)14-5-4-6-16(11-14)25(3,21)22/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 55846283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).