N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide

C14H23N3O2S — CID 63230096

IUPACN-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-17(14-9-7-8-13(15)12-14)20(18,19)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11,15H2,1H3
InChIKeyOEMGIEBJRUKQHO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.22
Rot. Bonds4

About N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide

N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide (PubChem CID 63230096) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
PubChem CID63230096
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-17(14-9-7-8-13(15)12-14)20(18,19)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11,15H2,1H3
InChIKeyOEMGIEBJRUKQHO-UHFFFAOYSA-N
XLogP2.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide (CID 63230096) is N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide is CCN(c1cccc(N)c1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide?
The InChIKey is OEMGIEBJRUKQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-17(14-9-7-8-13(15)12-14)20(18,19)16-10-5-3-4-6-11-16/h7-9,12H,2-6,10-11,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide?
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide is sourced from PubChem (CID 63230096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).