2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C9H11ClN2O2S — CID 56672254

IUPAC2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c10-9-3-1-8(2-4-9)7-12-6-5-11-15(12,13)14/h1-4,11H,5-7H2
InChIKeyYBJTWRKNUZAYLV-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.99
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56672254) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56672254
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c10-9-3-1-8(2-4-9)7-12-6-5-11-15(12,13)14/h1-4,11H,5-7H2
InChIKeyYBJTWRKNUZAYLV-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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Related Compounds

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CID 134826
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CID 592391
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
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N-(4-chlorobenzyl)prop-2-en-1-amine
CID 4717877
Sulfamide, N-(2,4-dichlorobenzyl)-N-methyl-
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beta-(2-Chlorophenyl)-1-pyrrolidineethanamine
CID 3158582
2-(4-Chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16394884
N-(4-Chlorobenzyl)-N-methylsulfamide
CID 4410045
2-(4-Chlorophenyl)-1,4,7,10-tetrazacyclododecane
CID 44453772
1-(4-chlorobenzyl)tetrahydro-2H-imidazole-2-thione
CID 46230806

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56672254) is 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is YBJTWRKNUZAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-9-3-1-8(2-4-9)7-12-6-5-11-15(12,13)14/h1-4,11H,5-7H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(4-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-[(4-chlorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56672254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).