4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide

C14H22N2O3S — CID 79861704

IUPAC4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2)8-4-5-13(14)16-20(17,18)12-7-6-10(15)9-11(12)19-3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyJONPPJJWQXIBJR-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide

4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide (PubChem CID 79861704) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
PubChem CID79861704
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2)8-4-5-13(14)16-20(17,18)12-7-6-10(15)9-11(12)19-3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
InChIKeyJONPPJJWQXIBJR-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
CID 103171642
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide (CID 79861704) is 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The InChIKey is JONPPJJWQXIBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)8-4-5-13(14)16-20(17,18)12-7-6-10(15)9-11(12)19-3/h6-7,9,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 79861704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).