4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

C24H29FN4O3S — CID 55953724

IUPAC4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C24H29FN4O3S/c1-4-29(5-2)33(31,32)22-13-11-18(12-14-22)24(30)28(3)15-7-10-21-17-23(27-26-21)19-8-6-9-20(25)16-19/h6,8-9,11-14,16-17H,4-5,7,10,15H2,1-3H3,(H,26,27)
InChIKeyQXZKEGSOWQNHGS-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.95
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide

4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (PubChem CID 55953724) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
PubChem CID55953724
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1
InChIInChI=1S/C24H29FN4O3S/c1-4-29(5-2)33(31,32)22-13-11-18(12-14-22)24(30)28(3)15-7-10-21-17-23(27-26-21)19-8-6-9-20(25)16-19/h6,8-9,11-14,16-17H,4-5,7,10,15H2,1-3H3,(H,26,27)
InChIKeyQXZKEGSOWQNHGS-UHFFFAOYSA-N
XLogP3.95
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55954752
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide (CID 55953724) is 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
The InChIKey is QXZKEGSOWQNHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-4-29(5-2)33(31,32)22-13-11-18(12-14-22)24(30)28(3)15-7-10-21-17-23(27-26-21)19-8-6-9-20(25)16-19/h6,8-9,11-14,16-17H,4-5,7,10,15H2,1-3H3,(H,26,27).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide?
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide is sourced from PubChem (CID 55953724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).