4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C12H15N5O3S — CID 78928138

IUPAC4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1
InChIInChI=1S/C12H15N5O3S/c1-8-13-12(16-15-8)14-11(18)9-4-6-10(7-5-9)21(19,20)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16,18)
InChIKeyBCURQVHNXMWRIN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.62
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 78928138) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID78928138
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1
InChIInChI=1S/C12H15N5O3S/c1-8-13-12(16-15-8)14-11(18)9-4-6-10(7-5-9)21(19,20)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16,18)
InChIKeyBCURQVHNXMWRIN-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-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2381572
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 47078487
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 2097930
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 78928138) is 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is BCURQVHNXMWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-13-12(16-15-8)14-11(18)9-4-6-10(7-5-9)21(19,20)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16,18).
What are the key properties of 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide 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 4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 78928138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).