4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide

C14H22ClN3O2S — CID 63314929

IUPAC4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1Cl)C1CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(12-4-2-3-5-12)9-8-17-21(19,20)14-7-6-11(16)10-13(14)15/h6-7,10,12,17H,2-5,8-9,16H2,1H3
InChIKeyLHAQAPNNQKVGOJ-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.07
Rot. Bonds6

About 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide

4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 63314929) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID63314929
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1Cl)C1CCCC1
InChIInChI=1S/C14H22ClN3O2S/c1-18(12-4-2-3-5-12)9-8-17-21(19,20)14-7-6-11(16)10-13(14)15/h6-7,10,12,17H,2-5,8-9,16H2,1H3
InChIKeyLHAQAPNNQKVGOJ-UHFFFAOYSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide 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-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 62978388
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
4-amino-2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 114514907
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide (CID 63314929) is 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide is CN(CCNS(=O)(=O)c1ccc(N)cc1Cl)C1CCCC1.
What is the InChIKey of 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is LHAQAPNNQKVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18(12-4-2-3-5-12)9-8-17-21(19,20)14-7-6-11(16)10-13(14)15/h6-7,10,12,17H,2-5,8-9,16H2,1H3.
What are the key properties of 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 63314929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).