2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide

C23H25ClN4O3S — CID 4798681

IUPAC2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C23H25ClN4O3S/c1-2-27(17-8-4-3-5-9-17)32(30,31)19-12-13-21(24)20(16-19)23(29)26-22-14-15-25-28(22)18-10-6-7-11-18/h3-5,8-9,12-16,18H,2,6-7,10-11H2,1H3,(H,26,29)
InChIKeyRGEVWGZBXWYXMO-UHFFFAOYSA-N
MW473.00 g/mol
LogP5.12
Rot. Bonds7

About 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide

2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 4798681) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID4798681
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C23H25ClN4O3S/c1-2-27(17-8-4-3-5-9-17)32(30,31)19-12-13-21(24)20(16-19)23(29)26-22-14-15-25-28(22)18-10-6-7-11-18/h3-5,8-9,12-16,18H,2,6-7,10-11H2,1H3,(H,26,29)
InChIKeyRGEVWGZBXWYXMO-UHFFFAOYSA-N
XLogP5.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.00
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-[4-(1-adamantyl)phenyl]-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4285874
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide (CID 4798681) is 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is RGEVWGZBXWYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-2-27(17-8-4-3-5-9-17)32(30,31)19-12-13-21(24)20(16-19)23(29)26-22-14-15-25-28(22)18-10-6-7-11-18/h3-5,8-9,12-16,18H,2,6-7,10-11H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 473.00 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4798681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).