2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C9H11ClN2O3S — CID 117003011

IUPAC2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOc1ccc(N2CCNS2(=O)=O)cc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-15-9-3-2-7(6-8(9)10)12-5-4-11-16(12,13)14/h2-3,6,11H,4-5H2,1H3
InChIKeyVAJGKHZZUBPFRJ-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.00
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117003011) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117003011
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOc1ccc(N2CCNS2(=O)=O)cc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-15-9-3-2-7(6-8(9)10)12-5-4-11-16(12,13)14/h2-3,6,11H,4-5H2,1H3
InChIKeyVAJGKHZZUBPFRJ-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-methoxyaniline
CID 82513470
1-(3-chloro-4-methoxyphenyl)-3-methylpiperazine
CID 64924296
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
4-(3-chloro-4-methoxyphenyl)-1,4-diazocan-5-one
CID 117015374
1-(3-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
CID 112724158
1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924494
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
[4-(3-chloro-4-methoxyphenyl)piperazin-2-yl]methanamine
CID 117026857
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
1-(3-chloro-4-methoxyphenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115946399
1-(3-chloro-4-methoxyphenyl)-3-ethyl-1,4-diazepane
CID 64943773
1-(3-chloro-4-methoxyphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 117022263

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117003011) is 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is COc1ccc(N2CCNS2(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is VAJGKHZZUBPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-15-9-3-2-7(6-8(9)10)12-5-4-11-16(12,13)14/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 262.72 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117003011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).