2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide

C13H19Cl2N3O2S — CID 105413574

IUPAC2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-18(2)13(4-3-5-13)8-17-21(19,20)12-10(15)6-9(14)7-11(12)16/h6-7,17H,3-5,8,16H2,1-2H3
InChIKeyGBCBLEGXLDQEQO-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide (PubChem CID 105413574) has the molecular formula C13H19Cl2N3O2S and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
PubChem CID105413574
Molecular FormulaC13H19Cl2N3O2S
Molecular Weight352.29 g/mol
Exact Mass351.06
IUPAC Name2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1
InChIInChI=1S/C13H19Cl2N3O2S/c1-18(2)13(4-3-5-13)8-17-21(19,20)12-10(15)6-9(14)7-11(12)16/h6-7,17H,3-5,8,16H2,1-2H3
InChIKeyGBCBLEGXLDQEQO-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]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

2-amino-4,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755747
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
CID 105420269
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide (CID 105413574) is 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide is CN(C)C1(CNS(=O)(=O)c2c(N)cc(Cl)cc2Cl)CCC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
The InChIKey is GBCBLEGXLDQEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2S/c1-18(2)13(4-3-5-13)8-17-21(19,20)12-10(15)6-9(14)7-11(12)16/h6-7,17H,3-5,8,16H2,1-2H3.
What are the key properties of 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide has a molecular weight of 352.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide is sourced from PubChem (CID 105413574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).