4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

C16H24ClN5O3S — CID 74629892

IUPAC4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1
InChIInChI=1S/C16H24ClN5O3S/c1-20(2)26(24,25)22-9-7-21(8-10-22)16(23)15-11-14(18-19-15)12-3-5-13(17)6-4-12/h3-6,14-15,18-19H,7-11H2,1-2H3
InChIKeyIHSYKGVQJOQHJK-UHFFFAOYSA-N
MW401.92 g/mol
LogP0.20
Rot. Bonds4

About 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 74629892) has the molecular formula C16H24ClN5O3S and a molecular weight of 401.92 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID74629892
Molecular FormulaC16H24ClN5O3S
Molecular Weight401.92 g/mol
Exact Mass401.13
IUPAC Name4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1
InChIInChI=1S/C16H24ClN5O3S/c1-20(2)26(24,25)22-9-7-21(8-10-22)16(23)15-11-14(18-19-15)12-3-5-13(17)6-4-12/h3-6,14-15,18-19H,7-11H2,1-2H3
InChIKeyIHSYKGVQJOQHJK-UHFFFAOYSA-N
XLogP0.20
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)hexan-1-one
CID 44415905
(2R)-2-(4-chlorophenyl)-N-methyl-2-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411547
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 124078449
3-(4-chlorophenyl)-N-[(4,4-difluoropiperidin-1-yl)sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole carboxamide
CID 67173997
3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide
CID 67174756
1-[4-[5-(4-Fluorophenyl)pyrazolidine-3-carbonyl]piperazin-1-yl]ethanone
CID 52986238
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52986967
[5-(4-Chlorophenyl)pyrazolidin-3-yl]-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 52991531
5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 73221474
2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 73340865
[4-[(2-Chlorophenyl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)pyrazolidin-3-yl]methanone
CID 73612086
[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[5-(trifluoromethyl)pyrazolidin-3-yl]methanone
CID 73612091

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 74629892) is 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is IHSYKGVQJOQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O3S/c1-20(2)26(24,25)22-9-7-21(8-10-22)16(23)15-11-14(18-19-15)12-3-5-13(17)6-4-12/h3-6,14-15,18-19H,7-11H2,1-2H3.
What are the key properties of 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 401.92 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 74629892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).