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

C16H22N6O3S — CID 71768506

IUPAC5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n[nH]1
InChIInChI=1S/C16H22N6O3S/c1-11-17-16(20-19-11)18-15(23)13-10-12(26(24,25)21(2)3)6-7-14(13)22-8-4-5-9-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,17,18,19,20,23)
InChIKeyROTWLDDGDGVYTI-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.22
Rot. Bonds5

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

5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 71768506) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide
PubChem CID71768506
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n[nH]1
InChIInChI=1S/C16H22N6O3S/c1-11-17-16(20-19-11)18-15(23)13-10-12(26(24,25)21(2)3)6-7-14(13)22-8-4-5-9-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,17,18,19,20,23)
InChIKeyROTWLDDGDGVYTI-UHFFFAOYSA-N
XLogP1.22
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide (CID 71768506) is 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide is Cc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n[nH]1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ROTWLDDGDGVYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-11-17-16(20-19-11)18-15(23)13-10-12(26(24,25)21(2)3)6-7-14(13)22-8-4-5-9-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,17,18,19,20,23).
What are the key properties of 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 378.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 71768506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).