N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide

C15H23NO3S — CID 6472395

IUPACN-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)12-8-9-14(19-3)15(10-12)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3
InChIKeyRFNQITHZMVOSOY-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.04
Rot. Bonds5

About N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide

N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 6472395) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID6472395
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)12-8-9-14(19-3)15(10-12)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3
InChIKeyRFNQITHZMVOSOY-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide (CID 6472395) is N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is RFNQITHZMVOSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)12-8-9-14(19-3)15(10-12)20(17,18)16-13-6-4-5-7-13/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide?
N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 6472395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).