4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

C14H16N2O3S — CID 106833488

IUPAC4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC2O3)ccc1C#N
InChIInChI=1S/C14H16N2O3S/c1-9-6-12(4-2-10(9)8-15)20(17,18)16-13-7-11-3-5-14(13)19-11/h2,4,6,11,13-14,16H,3,5,7H2,1H3
InChIKeyWCFWUQRPCBUWAT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.46
Rot. Bonds3

About 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide

4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (PubChem CID 106833488) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
PubChem CID106833488
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC3CCC2O3)ccc1C#N
InChIInChI=1S/C14H16N2O3S/c1-9-6-12(4-2-10(9)8-15)20(17,18)16-13-7-11-3-5-14(13)19-11/h2,4,6,11,13-14,16H,3,5,7H2,1H3
InChIKeyWCFWUQRPCBUWAT-UHFFFAOYSA-N
XLogP1.46
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide 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

4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
4-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80601792
3-amino-4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714763
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
CID 80720100
5-amino-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80715264
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(1,1-dioxothiolan-3-yl)-3-methylbenzenesulfonamide
CID 106832865
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
CID 80720289

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (CID 106833488) is 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC3CCC2O3)ccc1C#N.
What is the InChIKey of 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
The InChIKey is WCFWUQRPCBUWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-6-12(4-2-10(9)8-15)20(17,18)16-13-7-11-3-5-14(13)19-11/h2,4,6,11,13-14,16H,3,5,7H2,1H3.
What are the key properties of 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide?
4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106833488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).