N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide

C17H18FNO3S2 — CID 70397300

IUPACN-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide
SMILESCCSc1cccc2c1OCCC2NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S2/c1-2-23-16-5-3-4-14-15(10-11-22-17(14)16)19-24(20,21)13-8-6-12(18)7-9-13/h3-9,15,19H,2,10-11H2,1H3
InChIKeyWWVSQQSXNIFIEW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.74
Rot. Bonds5

About N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide

N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 70397300) has the molecular formula C17H18FNO3S2 and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide
PubChem CID70397300
Molecular FormulaC17H18FNO3S2
Molecular Weight367.47 g/mol
Exact Mass367.07
IUPAC NameN-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide
SMILESCCSc1cccc2c1OCCC2NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S2/c1-2-23-16-5-3-4-14-15(10-11-22-17(14)16)19-24(20,21)13-8-6-12(18)7-9-13/h3-9,15,19H,2,10-11H2,1H3
InChIKeyWWVSQQSXNIFIEW-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide (CID 70397300) is N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide is CCSc1cccc2c1OCCC2NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is WWVSQQSXNIFIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S2/c1-2-23-16-5-3-4-14-15(10-11-22-17(14)16)19-24(20,21)13-8-6-12(18)7-9-13/h3-9,15,19H,2,10-11H2,1H3.
What are the key properties of N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide?
N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethylsulfanyl-3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 70397300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).