2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

C17H23ClN4O3S — CID 37394125

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C17H23ClN4O3S/c1-3-22(4-2)26(24,25)14-7-8-16(18)15(13-14)17(23)19-9-5-11-21-12-6-10-20-21/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23)
InChIKeyGMNCAEMAVONPEP-UHFFFAOYSA-N
MW398.92 g/mol
LogP2.39
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37394125) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37394125
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1
InChIInChI=1S/C17H23ClN4O3S/c1-3-22(4-2)26(24,25)14-7-8-16(18)15(13-14)17(23)19-9-5-11-21-12-6-10-20-21/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23)
InChIKeyGMNCAEMAVONPEP-UHFFFAOYSA-N
XLogP2.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55696278
2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37394125) is 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCn2cccn2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is GMNCAEMAVONPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-3-22(4-2)26(24,25)14-7-8-16(18)15(13-14)17(23)19-9-5-11-21-12-6-10-20-21/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 398.92 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37394125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).