N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

C18H17Cl2N5O3S — CID 5243844

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N5O3S/c1-24(2)29(27,28)16-8-13(14(19)9-15(16)20)17(26)22-18-21-11-25(23-18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,22,23,26)
InChIKeyHDNHJMIKQBKEJG-UHFFFAOYSA-N
MW454.34 g/mol
LogP3.14
Rot. Bonds6

About N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide

N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 5243844) has the molecular formula C18H17Cl2N5O3S and a molecular weight of 454.34 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
PubChem CID5243844
Molecular FormulaC18H17Cl2N5O3S
Molecular Weight454.34 g/mol
Exact Mass453.04
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N5O3S/c1-24(2)29(27,28)16-8-13(14(19)9-15(16)20)17(26)22-18-21-11-25(23-18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,22,23,26)
InChIKeyHDNHJMIKQBKEJG-UHFFFAOYSA-N
XLogP3.14
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
2,4-dichloro-5-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 1260020
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474947
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55857423
N-(1-benzyl-1,2,4-triazol-3-yl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55856267
2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 1259983
(2S)-N-(1-benzyl-1,2,4-triazol-3-yl)-2-methylbutanamide
CID 94221424
N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19397502
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
N-(1-benzyl-1,2,4-triazol-3-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55856407
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55857031
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
CID 47059896

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide (CID 5243844) is N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c(Cl)cc1Cl.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is HDNHJMIKQBKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O3S/c1-24(2)29(27,28)16-8-13(14(19)9-15(16)20)17(26)22-18-21-11-25(23-18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,22,23,26).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 454.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 5243844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).