N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C11H16ClN3O4S — CID 106444297

IUPACN-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C11H16ClN3O4S/c1-14-6-9(10(16)15(2)11(14)17)20(18,19)13-8-5-3-4-7(8)12/h6-8,13H,3-5H2,1-2H3
InChIKeyJSWQURCASPSBAQ-UHFFFAOYSA-N
MW321.79 g/mol
LogP-0.48
Rot. Bonds3

About N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 106444297) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID106444297
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC NameN-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2Cl)c(=O)n(C)c1=O
InChIInChI=1S/C11H16ClN3O4S/c1-14-6-9(10(16)15(2)11(14)17)20(18,19)13-8-5-3-4-7(8)12/h6-8,13H,3-5H2,1-2H3
InChIKeyJSWQURCASPSBAQ-UHFFFAOYSA-N
XLogP-0.48
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 106444297) is N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCC2Cl)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is JSWQURCASPSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-14-6-9(10(16)15(2)11(14)17)20(18,19)13-8-5-3-4-7(8)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 106444297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).