N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide

C15H14FNO3S — CID 53209971

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1COc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2
InChIKeyCVKXVCADRKYQKL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.11
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 53209971) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide
PubChem CID53209971
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1COc2ccccc2C1)c1ccccc1F
InChIInChI=1S/C15H14FNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2
InChIKeyCVKXVCADRKYQKL-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide 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-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide (CID 53209971) is N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide is O=S(=O)(NC1COc2ccccc2C1)c1ccccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is CVKXVCADRKYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 53209971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).