3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide

C24H27FN4O3S — CID 45162936

IUPAC3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide
SMILESCC(NC(=O)c1cc(-c2ccn[nH]2)cc(S(=O)(=O)NC2CCCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O3S/c1-16(17-7-9-20(25)10-8-17)27-24(30)19-13-18(23-11-12-26-28-23)14-22(15-19)33(31,32)29-21-5-3-2-4-6-21/h7-16,21,29H,2-6H2,1H3,(H,26,28)(H,27,30)
InChIKeyHUPKOOOGZSCHJZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.32
Rot. Bonds7

About 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide

3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide (PubChem CID 45162936) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide
PubChem CID45162936
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide
SMILESCC(NC(=O)c1cc(-c2ccn[nH]2)cc(S(=O)(=O)NC2CCCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O3S/c1-16(17-7-9-20(25)10-8-17)27-24(30)19-13-18(23-11-12-26-28-23)14-22(15-19)33(31,32)29-21-5-3-2-4-6-21/h7-16,21,29H,2-6H2,1H3,(H,26,28)(H,27,30)
InChIKeyHUPKOOOGZSCHJZ-UHFFFAOYSA-N
XLogP4.32
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide (CID 45162936) is 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide is CC(NC(=O)c1cc(-c2ccn[nH]2)cc(S(=O)(=O)NC2CCCCC2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide?
The InChIKey is HUPKOOOGZSCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-16(17-7-9-20(25)10-8-17)27-24(30)19-13-18(23-11-12-26-28-23)14-22(15-19)33(31,32)29-21-5-3-2-4-6-21/h7-16,21,29H,2-6H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide?
3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-5-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 45162936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).