2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide

C15H15Cl2N3O3S — CID 1259983

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-20(2)24(22,23)14-7-11(12(16)8-13(14)17)15(21)19-9-10-3-5-18-6-4-10/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyINJQGVPVMRLLAQ-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.57
Rot. Bonds5

About 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide

2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 1259983) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID1259983
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-20(2)24(22,23)14-7-11(12(16)8-13(14)17)15(21)19-9-10-3-5-18-6-4-10/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyINJQGVPVMRLLAQ-UHFFFAOYSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2,4-dichloro-5-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 1260020
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
CID 1262101
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 5243844
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide (CID 1259983) is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccncc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is INJQGVPVMRLLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-20(2)24(22,23)14-7-11(12(16)8-13(14)17)15(21)19-9-10-3-5-18-6-4-10/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 388.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 1259983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).