5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide

C21H28ClN3O3S — CID 142666651

IUPAC5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1CCO
InChIInChI=1S/C21H28ClN3O3S/c1-3-24(4-2)29(27,28)25-21(18-10-12-19(22)13-11-18)20(16-23(25)14-15-26)17-8-6-5-7-9-17/h5-13,20-21,26H,3-4,14-16H2,1-2H3
InChIKeyXTTXIUXIPMWDPQ-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.28
Rot. Bonds8

About 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide

5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide (PubChem CID 142666651) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide
PubChem CID142666651
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1CCO
InChIInChI=1S/C21H28ClN3O3S/c1-3-24(4-2)29(27,28)25-21(18-10-12-19(22)13-11-18)20(16-23(25)14-15-26)17-8-6-5-7-9-17/h5-13,20-21,26H,3-4,14-16H2,1-2H3
InChIKeyXTTXIUXIPMWDPQ-UHFFFAOYSA-N
XLogP3.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide (CID 142666651) is 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1CCO.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide?
The InChIKey is XTTXIUXIPMWDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-3-24(4-2)29(27,28)25-21(18-10-12-19(22)13-11-18)20(16-23(25)14-15-26)17-8-6-5-7-9-17/h5-13,20-21,26H,3-4,14-16H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide?
5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide has a molecular weight of 437.99 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-diethyl-2-(2-hydroxyethyl)-4-phenylpyrazolidine-1-sulfonamide is sourced from PubChem (CID 142666651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).