N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide

C17H24N4O3S — CID 70783230

IUPACN-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2cnn(C)c2)cc1
InChIInChI=1S/C17H24N4O3S/c1-4-10-19-25(23,24)15-8-6-13(7-9-15)17(22)20-16(5-2)14-11-18-21(3)12-14/h6-9,11-12,16,19H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyLGDUBMZEUGCUSS-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.99
Rot. Bonds8

About N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide

N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide (PubChem CID 70783230) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide
PubChem CID70783230
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2cnn(C)c2)cc1
InChIInChI=1S/C17H24N4O3S/c1-4-10-19-25(23,24)15-8-6-13(7-9-15)17(22)20-16(5-2)14-11-18-21(3)12-14/h6-9,11-12,16,19H,4-5,10H2,1-3H3,(H,20,22)
InChIKeyLGDUBMZEUGCUSS-UHFFFAOYSA-N
XLogP1.99
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide (CID 70783230) is N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NC(CC)c2cnn(C)c2)cc1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is LGDUBMZEUGCUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-10-19-25(23,24)15-8-6-13(7-9-15)17(22)20-16(5-2)14-11-18-21(3)12-14/h6-9,11-12,16,19H,4-5,10H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide?
N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)propyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 70783230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).