N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide

C13H19NO3S — CID 83228380

IUPACN-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOC2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-13(11(2)9-10)18(15,16)14-17-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3
InChIKeyISKMCOXSASRFQJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.46
Rot. Bonds4

About N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide

N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide (PubChem CID 83228380) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
PubChem CID83228380
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOC2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-13(11(2)9-10)18(15,16)14-17-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3
InChIKeyISKMCOXSASRFQJ-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
cyclohexyl 2,4-dimethylbenzenesulfonate
CID 139894293
N-cyclopentyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 83228763
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
N-cyclopentyloxy-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 83231807
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
4-chloro-N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228765
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
CID 102919619

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide (CID 83228380) is N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NOC2CCCC2)c(C)c1.
What is the InChIKey of N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is ISKMCOXSASRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-8-13(11(2)9-10)18(15,16)14-17-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide?
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 83228380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).