N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide

C12H15N5O3S — CID 112733206

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H15N5O3S/c1-8-4-5-9(6-11(8)21(19,20)17(2)3)14-12(18)10-7-13-16-15-10/h4-7H,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyUPIPWMCUJJWXQH-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.62
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide (PubChem CID 112733206) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
PubChem CID112733206
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H15N5O3S/c1-8-4-5-9(6-11(8)21(19,20)17(2)3)14-12(18)10-7-13-16-15-10/h4-7H,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyUPIPWMCUJJWXQH-UHFFFAOYSA-N
XLogP0.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
4-bromo-2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 78894571
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide (CID 112733206) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide is Cc1ccc(NC(=O)c2cn[nH]n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide?
The InChIKey is UPIPWMCUJJWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-4-5-9(6-11(8)21(19,20)17(2)3)14-12(18)10-7-13-16-15-10/h4-7H,1-3H3,(H,14,18)(H,13,15,16).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).