4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide

C16H20N6O4S — CID 167787451

IUPAC4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N6O4S/c1-21(2)27(25,26)12-7-5-11(6-8-12)15(23)17-14-13(18-20-19-14)16(24)22-9-3-4-10-22/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20,23)
InChIKeyMBKYWTMZBIYKCP-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.54
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide

4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide (PubChem CID 167787451) has the molecular formula C16H20N6O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide
PubChem CID167787451
Molecular FormulaC16H20N6O4S
Molecular Weight392.44 g/mol
Exact Mass392.13
IUPAC Name4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N6O4S/c1-21(2)27(25,26)12-7-5-11(6-8-12)15(23)17-14-13(18-20-19-14)16(24)22-9-3-4-10-22/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20,23)
InChIKeyMBKYWTMZBIYKCP-UHFFFAOYSA-N
XLogP0.54
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23732514
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
4-ethyl-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230700
N,N-dimethyl-4-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 2556261
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
4-(dimethylsulfamoyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991821
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide (CID 167787451) is 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide?
The InChIKey is MBKYWTMZBIYKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4S/c1-21(2)27(25,26)12-7-5-11(6-8-12)15(23)17-14-13(18-20-19-14)16(24)22-9-3-4-10-22/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,19,20,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide?
4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide is sourced from PubChem (CID 167787451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).