2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide

C24H26ClN3O3S — CID 118491918

IUPAC2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H26ClN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23/h4-15H,1-3,16-19H2
InChIKeyYOQDQHOCLOWOCY-UHFFFAOYSA-N
MW472.01 g/mol
LogP5.02
Rot. Bonds9

About 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide

2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 118491918) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID118491918
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H26ClN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23/h4-15H,1-3,16-19H2
InChIKeyYOQDQHOCLOWOCY-UHFFFAOYSA-N
XLogP5.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.01
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118492119
4-[5-[5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491892
1-[5-[4-(4-bromophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 10367867
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-[4-(4-chlorophenyl)phenoxy]-4-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 5278480
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
4-[5-[5-[[5-(2-ethyltetrazol-5-yl)-2-pyridinyl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118492152
5-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118492170
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70751740

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 118491918) is 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.
What is the InChIKey of 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is YOQDQHOCLOWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23/h4-15H,1-3,16-19H2.
What are the key properties of 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 472.01 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 118491918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).