N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide

C14H17N3O3S — CID 66210964

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C(N)C3CCCOC32)cc1
InChIInChI=1S/C14H17N3O3S/c15-8-9-3-5-10(6-4-9)21(18,19)17-13-12(16)11-2-1-7-20-14(11)13/h3-6,11-14,17H,1-2,7,16H2
InChIKeyXSUSTGWEFYUDDR-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.34
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide (PubChem CID 66210964) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
PubChem CID66210964
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C(N)C3CCCOC32)cc1
InChIInChI=1S/C14H17N3O3S/c15-8-9-3-5-10(6-4-9)21(18,19)17-13-12(16)11-2-1-7-20-14(11)13/h3-6,11-14,17H,1-2,7,16H2
InChIKeyXSUSTGWEFYUDDR-UHFFFAOYSA-N
XLogP0.34
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide 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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzenesulfonamide
CID 66213103
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
CID 114614884
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1-cyanomethanesulfonamide
CID 66212129
4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-3-chlorobenzonitrile
CID 66213112
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
CID 66211739
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66212908
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-bromo-3-methylbenzenesulfonamide
CID 66196908
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)piperidine-1-sulfonamide
CID 66212320

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide (CID 66210964) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2C(N)C3CCCOC32)cc1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide?
The InChIKey is XSUSTGWEFYUDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-8-9-3-5-10(6-4-9)21(18,19)17-13-12(16)11-2-1-7-20-14(11)13/h3-6,11-14,17H,1-2,7,16H2.
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 66210964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).