N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide

C17H18FNO3S — CID 70398433

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C17H18FNO3S/c1-17(2)11-15(14-8-3-4-9-16(14)22-17)19-23(20,21)13-7-5-6-12(18)10-13/h3-10,15,19H,11H2,1-2H3
InChIKeyQFKRLXCPCVMNFT-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.41
Rot. Bonds3

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide (PubChem CID 70398433) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
PubChem CID70398433
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cccc(F)c2)c2ccccc2O1
InChIInChI=1S/C17H18FNO3S/c1-17(2)11-15(14-8-3-4-9-16(14)22-17)19-23(20,21)13-7-5-6-12(18)10-13/h3-10,15,19H,11H2,1-2H3
InChIKeyQFKRLXCPCVMNFT-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide (CID 70398433) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2cccc(F)c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide?
The InChIKey is QFKRLXCPCVMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-17(2)11-15(14-8-3-4-9-16(14)22-17)19-23(20,21)13-7-5-6-12(18)10-13/h3-10,15,19H,11H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 70398433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).