N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

C21H20BrN3O3S — CID 60533673

IUPACN-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-24(2)29(27,28)20-12-6-16(7-13-20)21(26)25(15-18-5-3-4-14-23-18)19-10-8-17(22)9-11-19/h3-14H,15H2,1-2H3
InChIKeyOIWUNYGHFHABCI-UHFFFAOYSA-N
MW474.38 g/mol
LogP3.94
Rot. Bonds6

About N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 60533673) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID60533673
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC NameN-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-24(2)29(27,28)20-12-6-16(7-13-20)21(26)25(15-18-5-3-4-14-23-18)19-10-8-17(22)9-11-19/h3-14H,15H2,1-2H3
InChIKeyOIWUNYGHFHABCI-UHFFFAOYSA-N
XLogP3.94
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889987
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
4-(dimethylsulfamoyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055374
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
N-(4-bromophenyl)-5-methoxy-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55887508
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
4-(methoxymethyl)-N-[4-[[4-(methoxymethyl)benzoyl]-(pyridin-2-ylmethyl)amino]phenyl]benzamide
CID 47080763
N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 41004761
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121045762

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (CID 60533673) is N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is OIWUNYGHFHABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-24(2)29(27,28)20-12-6-16(7-13-20)21(26)25(15-18-5-3-4-14-23-18)19-10-8-17(22)9-11-19/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 474.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 60533673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).