N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide

C22H22ClN3O3S — CID 4669259

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide
SMILESCCN(C(=O)CC1c2ccccc2-c2ccccc21)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-4-26(30(28,29)21-14(2)24-25(3)22(21)23)20(27)13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,4,13H2,1-3H3
InChIKeyJTJQHTRDJGPHKI-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.12
Rot. Bonds5

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide (PubChem CID 4669259) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide
PubChem CID4669259
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide
SMILESCCN(C(=O)CC1c2ccccc2-c2ccccc21)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-4-26(30(28,29)21-14(2)24-25(3)22(21)23)20(27)13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,4,13H2,1-3H3
InChIKeyJTJQHTRDJGPHKI-UHFFFAOYSA-N
XLogP4.12
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide (CID 4669259) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide is CCN(C(=O)CC1c2ccccc2-c2ccccc21)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide?
The InChIKey is JTJQHTRDJGPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-4-26(30(28,29)21-14(2)24-25(3)22(21)23)20(27)13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,4,13H2,1-3H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide has a molecular weight of 443.96 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-(9H-fluoren-9-yl)acetamide is sourced from PubChem (CID 4669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).