N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H17ClN2O3S — CID 106367635

IUPACN-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C11H17ClN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-4-9(10)6-12/h9-10,14H,3-6H2,1-2H3
InChIKeyPAECLBOLHYACAE-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 106367635) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID106367635
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C11H17ClN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-4-9(10)6-12/h9-10,14H,3-6H2,1-2H3
InChIKeyPAECLBOLHYACAE-UHFFFAOYSA-N
XLogP1.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 106367635) is N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PAECLBOLHYACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-7-11(8(2)17-13-7)18(15,16)14-10-5-3-4-9(10)6-12/h9-10,14H,3-6H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 106367635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).