N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide

C14H21NO3S — CID 83228861

IUPACN-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H21NO3S/c1-11(2)12-7-9-14(10-8-12)19(16,17)15-18-13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3
InChIKeyUPPNJQWTVYOJQO-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide

N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide (PubChem CID 83228861) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide
PubChem CID83228861
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H21NO3S/c1-11(2)12-7-9-14(10-8-12)19(16,17)15-18-13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3
InChIKeyUPPNJQWTVYOJQO-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.96
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

4-bromo-N-cyclopentyloxybenzenesulfonamide
CID 83229066
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
4-(cyclopentyloxysulfamoyl)benzamide
CID 83229494
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-cyclopentyloxy-4-(2,6-dioxopiperidin-1-yl)benzenesulfonamide
CID 110666980
N-cyclopentyloxy-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110666979
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
N-cyclopentyloxy-2,4-dimethylbenzenesulfonamide
CID 83228380
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide (CID 83228861) is N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide?
The InChIKey is UPPNJQWTVYOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)12-7-9-14(10-8-12)19(16,17)15-18-13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide?
N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 83228861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).