N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide

C16H16F2N2O3S — CID 171911955

IUPACN-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2cccnc2)cc1S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C16H16F2N2O3S/c1-23-14-5-4-11(12-3-2-6-19-10-12)7-15(14)24(21,22)20-13-8-16(17,18)9-13/h2-7,10,13,20H,8-9H2,1H3
InChIKeyWLPYCDKKBPCPIH-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.83
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide

N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide (PubChem CID 171911955) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide
PubChem CID171911955
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2cccnc2)cc1S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C16H16F2N2O3S/c1-23-14-5-4-11(12-3-2-6-19-10-12)7-15(14)24(21,22)20-13-8-16(17,18)9-13/h2-7,10,13,20H,8-9H2,1H3
InChIKeyWLPYCDKKBPCPIH-UHFFFAOYSA-N
XLogP2.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide (CID 171911955) is N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide is COc1ccc(-c2cccnc2)cc1S(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide?
The InChIKey is WLPYCDKKBPCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-23-14-5-4-11(12-3-2-6-19-10-12)7-15(14)24(21,22)20-13-8-16(17,18)9-13/h2-7,10,13,20H,8-9H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide?
N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-methoxy-5-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 171911955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).