N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide

C14H23N3O3S — CID 43369656

IUPACN-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H23N3O3S/c15-8-11-20-14-7-5-6-13(12-14)16-21(18,19)17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11,15H2
InChIKeyGPTOUPPOXAQICA-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide

N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide (PubChem CID 43369656) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
PubChem CID43369656
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H23N3O3S/c15-8-11-20-14-7-5-6-13(12-14)16-21(18,19)17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11,15H2
InChIKeyGPTOUPPOXAQICA-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

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Related Compounds

N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
N-(3-formylphenyl)piperidine-1-sulfonamide
CID 106913023
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
N-phenylpyrrolidine-1-sulfonamide
CID 45117555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide (CID 43369656) is N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide is NCCOc1cccc(NS(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
The InChIKey is GPTOUPPOXAQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c15-8-11-20-14-7-5-6-13(12-14)16-21(18,19)17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11,15H2.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide?
N-[3-(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-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide is sourced from PubChem (CID 43369656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).