N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide

C24H21N3O3S — CID 3128176

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21N3O3S/c1-16-23(24(28)27(26(16)2)19-9-4-3-5-10-19)25-31(29,30)20-12-13-22-18(15-20)14-17-8-6-7-11-21(17)22/h3-13,15,25H,14H2,1-2H3
InChIKeyJZLOVPNJANGFLE-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.86
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide (PubChem CID 3128176) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide
PubChem CID3128176
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21N3O3S/c1-16-23(24(28)27(26(16)2)19-9-4-3-5-10-19)25-31(29,30)20-12-13-22-18(15-20)14-17-8-6-7-11-21(17)22/h3-13,15,25H,14H2,1-2H3
InChIKeyJZLOVPNJANGFLE-UHFFFAOYSA-N
XLogP3.86
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide (CID 3128176) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide is Cc1c(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide?
The InChIKey is JZLOVPNJANGFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-23(24(28)27(26(16)2)19-9-4-3-5-10-19)25-31(29,30)20-12-13-22-18(15-20)14-17-8-6-7-11-21(17)22/h3-13,15,25H,14H2,1-2H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide has a molecular weight of 431.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9H-fluorene-2-sulfonamide is sourced from PubChem (CID 3128176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).