N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide

C15H24N2O3S — CID 61043938

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
SMILESCC(c1ccccc1O)N(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O3S/c1-13(14-9-5-6-10-15(14)18)16(2)21(19,20)17-11-7-3-4-8-12-17/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyXMEFVLBKYCJHIG-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide (PubChem CID 61043938) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
PubChem CID61043938
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
SMILESCC(c1ccccc1O)N(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C15H24N2O3S/c1-13(14-9-5-6-10-15(14)18)16(2)21(19,20)17-11-7-3-4-8-12-17/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyXMEFVLBKYCJHIG-UHFFFAOYSA-N
XLogP2.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-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-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 112725664
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578
1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
CID 61453739
2-[1-(2-hydroxyphenyl)ethyl-methylsulfamoyl]propanoic acid
CID 61457886
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857517
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242780
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061772
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide (CID 61043938) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide is CC(c1ccccc1O)N(C)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide?
The InChIKey is XMEFVLBKYCJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(14-9-5-6-10-15(14)18)16(2)21(19,20)17-11-7-3-4-8-12-17/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 61043938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).