N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide

C13H19BrN2O3S — CID 63997402

IUPACN-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
SMILESCOc1ccc(Br)c(NS(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19BrN2O3S/c1-19-11-6-7-12(14)13(10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyMQOZNGVJRJUSGM-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.99
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide

N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide (PubChem CID 63997402) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
PubChem CID63997402
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
SMILESCOc1ccc(Br)c(NS(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19BrN2O3S/c1-19-11-6-7-12(14)13(10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyMQOZNGVJRJUSGM-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide 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

N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
3-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)piperidine-1-sulfonamide
CID 106067174
N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
CID 167940813
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide (CID 63997402) is N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide is COc1ccc(Br)c(NS(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide?
The InChIKey is MQOZNGVJRJUSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-19-11-6-7-12(14)13(10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3.
What are the key properties of N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide?
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide is sourced from PubChem (CID 63997402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).