4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

C14H18N4O3S — CID 37393122

IUPAC4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H18N4O3S/c1-15-22(20,21)13-6-4-12(5-7-13)14(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11,15H,2,8,10H2,1H3,(H,16,19)
InChIKeyCWEGEUXVCQQGMH-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.61
Rot. Bonds7

About 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393122) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393122
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H18N4O3S/c1-15-22(20,21)13-6-4-12(5-7-13)14(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11,15H,2,8,10H2,1H3,(H,16,19)
InChIKeyCWEGEUXVCQQGMH-UHFFFAOYSA-N
XLogP0.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393122) is 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is CWEGEUXVCQQGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-15-22(20,21)13-6-4-12(5-7-13)14(19)16-8-2-10-18-11-3-9-17-18/h3-7,9,11,15H,2,8,10H2,1H3,(H,16,19).
What are the key properties of 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).