N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide

C12H17BrN2O4S — CID 43597871

IUPACN-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CC(N)C2)cc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-18-10-5-9(13)12(6-11(10)19-2)20(16,17)15-8-3-7(14)4-8/h5-8,15H,3-4,14H2,1-2H3
InChIKeyWXEFAQNHQLSYRR-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.23
Rot. Bonds5

About N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide

N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide (PubChem CID 43597871) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
PubChem CID43597871
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC NameN-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NC2CC(N)C2)cc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-18-10-5-9(13)12(6-11(10)19-2)20(16,17)15-8-3-7(14)4-8/h5-8,15H,3-4,14H2,1-2H3
InChIKeyWXEFAQNHQLSYRR-UHFFFAOYSA-N
XLogP1.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide 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-bromo-4,5-dimethoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982732
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
2-bromo-N-(2,3-dimethylcyclohexyl)-4,5-dimethoxybenzenesulfonamide
CID 55387058
trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 96514771
N-(3-aminocyclobutyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43597874
2-bromo-5-chloro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120585984
4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 2211941
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide (CID 43597871) is N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NC2CC(N)C2)cc1OC.
What is the InChIKey of N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide?
The InChIKey is WXEFAQNHQLSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-18-10-5-9(13)12(6-11(10)19-2)20(16,17)15-8-3-7(14)4-8/h5-8,15H,3-4,14H2,1-2H3.
What are the key properties of N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide?
N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43597871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).