N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide

C14H23N3O3S — CID 43369684

IUPACN-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
SMILESNCCOc1ccccc1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H23N3O3S/c15-9-12-20-14-8-4-3-7-13(14)16-21(18,19)17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12,15H2
InChIKeyDFZMEWDJGUHSPO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide

N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide (PubChem CID 43369684) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
PubChem CID43369684
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
SMILESNCCOc1ccccc1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H23N3O3S/c15-9-12-20-14-8-4-3-7-13(14)16-21(18,19)17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12,15H2
InChIKeyDFZMEWDJGUHSPO-UHFFFAOYSA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-aminoethoxy)phenyl]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-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
2-(2-aminoethoxy)-N-(cyclopropylsulfamoyl)aniline
CID 114803489
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
CID 71889809
4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 169370607

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide (CID 43369684) is N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide is NCCOc1ccccc1NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The InChIKey is DFZMEWDJGUHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-9-12-20-14-8-4-3-7-13(14)16-21(18,19)17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12,15H2.
What are the key properties of N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide is sourced from PubChem (CID 43369684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).