2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide

C21H20ClN3O3S — CID 25393397

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C21H20ClN3O3S/c1-25(2)29(27,28)17-8-9-19(22)18(14-17)21(26)24-20(15-6-4-3-5-7-15)16-10-12-23-13-11-16/h3-14,20H,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyKIWRCMZTEOKRGR-HXUWFJFHSA-N
MW429.93 g/mol
LogP3.50
Rot. Bonds6

About 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide (PubChem CID 25393397) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
PubChem CID25393397
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C21H20ClN3O3S/c1-25(2)29(27,28)17-8-9-19(22)18(14-17)21(26)24-20(15-6-4-3-5-7-15)16-10-12-23-13-11-16/h3-14,20H,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyKIWRCMZTEOKRGR-HXUWFJFHSA-N
XLogP3.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
2-chloro-N-[(1S)-3-hydroxy-1-phenylpropyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 97017563
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 78849670
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524366
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide
CID 78819751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide (CID 25393397) is 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide?
The InChIKey is KIWRCMZTEOKRGR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-25(2)29(27,28)17-8-9-19(22)18(14-17)21(26)24-20(15-6-4-3-5-7-15)16-10-12-23-13-11-16/h3-14,20H,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide has a molecular weight of 429.93 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 25393397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).