N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide

C19H16Cl2N4O3S — CID 2097930

IUPACN-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2c(Cl)nc(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C19H16Cl2N4O3S/c1-25(2)29(27,28)14-10-8-13(9-11-14)19(26)22-15-16(20)23-18(24-17(15)21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,26)
InChIKeyCLKHPSGYHCKYCJ-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.95
Rot. Bonds5

About N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide

N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2097930) has the molecular formula C19H16Cl2N4O3S and a molecular weight of 451.34 g/mol. Its IUPAC name is N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2097930
Molecular FormulaC19H16Cl2N4O3S
Molecular Weight451.34 g/mol
Exact Mass450.03
IUPAC NameN-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2c(Cl)nc(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C19H16Cl2N4O3S/c1-25(2)29(27,28)14-10-8-13(9-11-14)19(26)22-15-16(20)23-18(24-17(15)21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,26)
InChIKeyCLKHPSGYHCKYCJ-UHFFFAOYSA-N
XLogP3.95
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134036658
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide (CID 2097930) is N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c(Cl)nc(-c3ccccc3)nc2Cl)cc1.
What is the InChIKey of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is CLKHPSGYHCKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S/c1-25(2)29(27,28)14-10-8-13(9-11-14)19(26)22-15-16(20)23-18(24-17(15)21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,22,26).
What are the key properties of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide?
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 451.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2097930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).