4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C24H20ClFN4O3S — CID 55505071

IUPAC4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H20ClFN4O3S/c25-22-11-6-18(14-23(22)34(32,33)29-20-9-7-19(26)8-10-20)24(31)27-13-12-17-15-28-30(16-17)21-4-2-1-3-5-21/h1-11,14-16,29H,12-13H2,(H,27,31)
InChIKeyFFYWHFMQRRUUNI-UHFFFAOYSA-N
MW498.97 g/mol
LogP4.44
Rot. Bonds8

About 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 55505071) has the molecular formula C24H20ClFN4O3S and a molecular weight of 498.97 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID55505071
Molecular FormulaC24H20ClFN4O3S
Molecular Weight498.97 g/mol
Exact Mass498.09
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C24H20ClFN4O3S/c25-22-11-6-18(14-23(22)34(32,33)29-20-9-7-19(26)8-10-20)24(31)27-13-12-17-15-28-30(16-17)21-4-2-1-3-5-21/h1-11,14-16,29H,12-13H2,(H,27,31)
InChIKeyFFYWHFMQRRUUNI-UHFFFAOYSA-N
XLogP4.44
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000630
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2669000
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 55505071) is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is FFYWHFMQRRUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3S/c25-22-11-6-18(14-23(22)34(32,33)29-20-9-7-19(26)8-10-20)24(31)27-13-12-17-15-28-30(16-17)21-4-2-1-3-5-21/h1-11,14-16,29H,12-13H2,(H,27,31).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 498.97 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 55505071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).