N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide

C13H18Cl2N2O2S — CID 167878417

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)c(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-7-4-5-8(12(15)11(7)14)20(18,19)17-10-6-9(16)13(10,2)3/h4-5,9-10,17H,6,16H2,1-3H3
InChIKeyWJYHSOVHFPVZFO-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.71
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide (PubChem CID 167878417) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide
PubChem CID167878417
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)c(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-7-4-5-8(12(15)11(7)14)20(18,19)17-10-6-9(16)13(10,2)3/h4-5,9-10,17H,6,16H2,1-3H3
InChIKeyWJYHSOVHFPVZFO-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide 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-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide (CID 167878417) is N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)c(Cl)c1Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide?
The InChIKey is WJYHSOVHFPVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-7-4-5-8(12(15)11(7)14)20(18,19)17-10-6-9(16)13(10,2)3/h4-5,9-10,17H,6,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 167878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).