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

C17H22N4O3S — CID 70764346

IUPACN-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide
SMILESCCC(NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnn(C)c1
InChIInChI=1S/C17H22N4O3S/c1-3-16(13-10-18-21(2)11-13)20-25(23,24)15-8-4-12(5-9-15)17(22)19-14-6-7-14/h4-5,8-11,14,16,20H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyWIOHEVCGKVXVRO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.74
Rot. Bonds7

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

N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide (PubChem CID 70764346) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide
PubChem CID70764346
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide
SMILESCCC(NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnn(C)c1
InChIInChI=1S/C17H22N4O3S/c1-3-16(13-10-18-21(2)11-13)20-25(23,24)15-8-4-12(5-9-15)17(22)19-14-6-7-14/h4-5,8-11,14,16,20H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyWIOHEVCGKVXVRO-UHFFFAOYSA-N
XLogP1.74
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide (CID 70764346) is N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide is CCC(NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1)c1cnn(C)c1.
What is the InChIKey of N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide?
The InChIKey is WIOHEVCGKVXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-16(13-10-18-21(2)11-13)20-25(23,24)15-8-4-12(5-9-15)17(22)19-14-6-7-14/h4-5,8-11,14,16,20H,3,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide?
N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-(1-methylpyrazol-4-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 70764346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).