[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C19H21ClN4O3S — CID 62707587

IUPAC[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21ClN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2
InChIKeyPABSFRKSYBREHM-UHFFFAOYSA-N
MW420.92 g/mol
LogP1.70
Rot. Bonds4

About [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 62707587) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID62707587
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21ClN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2
InChIKeyPABSFRKSYBREHM-UHFFFAOYSA-N
XLogP1.70
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6462258
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-(pyridin-2-yl)ethanone
CID 24945555
[1-(2,3-Dichlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705313
(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
[1-[(6-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705316
[1-[(6-Chloro-5-methyl-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705483
1-(3-Chlorobenzenesulfonyl)-4-(pyridine-4-carbonyl)piperazine
CID 8115719
1-(2,5-Dichlorobenzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2991292
1-(4-Chlorophenyl)-4-{[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3236518
1-(2-Chlorophenyl)-4-{[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3242821

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 62707587) is [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is PABSFRKSYBREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2.
What are the key properties of [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 420.92 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62707587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).