[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide

C18H20FNO3S — CID 123436324

IUPAC[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
SMILESCC1(C)CC(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2O1
InChIInChI=1S/C18H20FNO3S/c1-18(2)10-16(13-4-6-14(19)7-5-13)15-8-3-12(9-17(15)23-18)11-24(20,21)22/h3-9,16H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyYFQCGUQDSMPAMM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds3

About [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide

[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide (PubChem CID 123436324) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
PubChem CID123436324
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
SMILESCC1(C)CC(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2O1
InChIInChI=1S/C18H20FNO3S/c1-18(2)10-16(13-4-6-14(19)7-5-13)15-8-3-12(9-17(15)23-18)11-24(20,21)22/h3-9,16H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyYFQCGUQDSMPAMM-UHFFFAOYSA-N
XLogP3.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The IUPAC name of [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide (CID 123436324) is [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide.
What is the SMILES notation for [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The canonical SMILES for [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide is CC1(C)CC(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2O1.
What is the InChIKey of [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The InChIKey is YFQCGUQDSMPAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-18(2)10-16(13-4-6-14(19)7-5-13)15-8-3-12(9-17(15)23-18)11-24(20,21)22/h3-9,16H,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide is sourced from PubChem (CID 123436324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).