2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C9H11ClN2O2S — CID 56672253

IUPAC2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O2S/c10-9-3-1-2-8(6-9)7-12-5-4-11-15(12,13)14/h1-3,6,11H,4-5,7H2
InChIKeyVADONXJXLHQBSD-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.99
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56672253) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56672253
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O2S/c10-9-3-1-2-8(6-9)7-12-5-4-11-15(12,13)14/h1-3,6,11H,4-5,7H2
InChIKeyVADONXJXLHQBSD-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56672253) is 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is VADONXJXLHQBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-9-3-1-2-8(6-9)7-12-5-4-11-15(12,13)14/h1-3,6,11H,4-5,7H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56672253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).