N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

C16H25NO3S — CID 15943943

IUPACN-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H25NO3S/c1-11(2)14-10-16(15(20-4)9-12(14)3)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3
InChIKeyNRAVUCTWEBCZJE-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.35
Rot. Bonds5

About N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 15943943) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID15943943
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H25NO3S/c1-11(2)14-10-16(15(20-4)9-12(14)3)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3
InChIKeyNRAVUCTWEBCZJE-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (CID 15943943) is N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is NRAVUCTWEBCZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11(2)14-10-16(15(20-4)9-12(14)3)21(18,19)17-13-7-5-6-8-13/h9-11,13,17H,5-8H2,1-4H3.
What are the key properties of N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
N-cyclopentyl-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.35, 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-4-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 15943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).