2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide

C16H17ClN2O3S — CID 41266673

IUPAC2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-6-3-7-12(15)11-18-16(20)13-8-4-5-9-14(13)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyHMQLVTPGRPTXFR-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.52
Rot. Bonds5

About 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide

2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 41266673) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID41266673
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-6-3-7-12(15)11-18-16(20)13-8-4-5-9-14(13)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyHMQLVTPGRPTXFR-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
1-(4-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55909395
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24614043
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 24684951
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294432
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 24603139
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide (CID 41266673) is 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is HMQLVTPGRPTXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-6-3-7-12(15)11-18-16(20)13-8-4-5-9-14(13)17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 41266673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).