N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide

C13H21N3O3S — CID 28783253

IUPACN-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CCCCCC2)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-19-11-6-7-13(12(14)10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyBPVPRQQGUUHVFK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.81
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide

N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide (PubChem CID 28783253) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
PubChem CID28783253
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CCCCCC2)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-19-11-6-7-13(12(14)10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9,14H2,1H3
InChIKeyBPVPRQQGUUHVFK-UHFFFAOYSA-N
XLogP1.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
CID 167940813
N-(2-amino-4-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453682
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
CID 63688397
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(3-amino-4-pyridinyl)piperidine-1-sulfonamide
CID 63063461
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide (CID 28783253) is N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide is COc1ccc(NS(=O)(=O)N2CCCCCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide?
The InChIKey is BPVPRQQGUUHVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-19-11-6-7-13(12(14)10-11)15-20(17,18)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9,14H2,1H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide?
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide is sourced from PubChem (CID 28783253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).