5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide

C19H25ClN4O2S — CID 142666617

IUPAC5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccncc2)CN1C
InChIInChI=1S/C19H25ClN4O2S/c1-4-23(5-2)27(25,26)24-19(16-6-8-17(20)9-7-16)18(14-22(24)3)15-10-12-21-13-11-15/h6-13,18-19H,4-5,14H2,1-3H3
InChIKeyIHIPIRVJSLSQCM-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.31
Rot. Bonds6

About 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide

5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide (PubChem CID 142666617) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide
PubChem CID142666617
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccncc2)CN1C
InChIInChI=1S/C19H25ClN4O2S/c1-4-23(5-2)27(25,26)24-19(16-6-8-17(20)9-7-16)18(14-22(24)3)15-10-12-21-13-11-15/h6-13,18-19H,4-5,14H2,1-3H3
InChIKeyIHIPIRVJSLSQCM-UHFFFAOYSA-N
XLogP3.31
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide (CID 142666617) is 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1C(c2ccc(Cl)cc2)C(c2ccncc2)CN1C.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide?
The InChIKey is IHIPIRVJSLSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-4-23(5-2)27(25,26)24-19(16-6-8-17(20)9-7-16)18(14-22(24)3)15-10-12-21-13-11-15/h6-13,18-19H,4-5,14H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide?
5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide has a molecular weight of 408.96 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-diethyl-2-methyl-4-pyridin-4-ylpyrazolidine-1-sulfonamide is sourced from PubChem (CID 142666617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).