N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide

C18H20FNO3S — CID 70396736

IUPACN-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc2c(c1)OCCC2CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-13-3-8-17-14(9-10-23-18(17)11-13)12-20-24(21,22)16-6-4-15(19)5-7-16/h3-8,11,14,20H,2,9-10,12H2,1H3
InChIKeyQVWWSQNFDUAQPH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.23
Rot. Bonds5

About N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide

N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 70396736) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID70396736
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc2c(c1)OCCC2CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-13-3-8-17-14(9-10-23-18(17)11-13)12-20-24(21,22)16-6-4-15(19)5-7-16/h3-8,11,14,20H,2,9-10,12H2,1H3
InChIKeyQVWWSQNFDUAQPH-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide (CID 70396736) is N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide is CCc1ccc2c(c1)OCCC2CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is QVWWSQNFDUAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-2-13-3-8-17-14(9-10-23-18(17)11-13)12-20-24(21,22)16-6-4-15(19)5-7-16/h3-8,11,14,20H,2,9-10,12H2,1H3.
What are the key properties of N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-3,4-dihydro-2H-chromen-4-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 70396736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).