5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide

C16H25NO3S — CID 15943948

IUPAC5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H25NO3S/c1-16(2,3)12-9-10-14(20-4)15(11-12)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3
InChIKeyJGDXULWZAQXKKD-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.21
Rot. Bonds4

About 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide

5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide (PubChem CID 15943948) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide
PubChem CID15943948
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H25NO3S/c1-16(2,3)12-9-10-14(20-4)15(11-12)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3
InChIKeyJGDXULWZAQXKKD-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide (CID 15943948) is 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide?
The InChIKey is JGDXULWZAQXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-16(2,3)12-9-10-14(20-4)15(11-12)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide?
5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopentyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 15943948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).