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

C19H22FNO3S — CID 123220759

IUPAC[(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
SMILESC[C@@H]1C(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C19H22FNO3S/c1-12-18(14-5-7-15(20)8-6-14)16-9-4-13(11-25(21,22)23)10-17(16)24-19(12,2)3/h4-10,12,18H,11H2,1-3H3,(H2,21,22,23)/t12-,18?/m1/s1
InChIKeyJDCGOWONSMYGME-GKOGFXNCSA-N
MW363.45 g/mol
LogP3.55
Rot. Bonds3

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

[(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide (PubChem CID 123220759) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
PubChem CID123220759
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name[(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide
SMILESC[C@@H]1C(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2OC1(C)C
InChIInChI=1S/C19H22FNO3S/c1-12-18(14-5-7-15(20)8-6-14)16-9-4-13(11-25(21,22)23)10-17(16)24-19(12,2)3/h4-10,12,18H,11H2,1-3H3,(H2,21,22,23)/t12-,18?/m1/s1
InChIKeyJDCGOWONSMYGME-GKOGFXNCSA-N
XLogP3.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The IUPAC name of [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide (CID 123220759) is [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The canonical SMILES for [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide is C[C@@H]1C(c2ccc(F)cc2)c2ccc(CS(N)(=O)=O)cc2OC1(C)C.
What is the InChIKey of [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
The InChIKey is JDCGOWONSMYGME-GKOGFXNCSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-12-18(14-5-7-15(20)8-6-14)16-9-4-13(11-25(21,22)23)10-17(16)24-19(12,2)3/h4-10,12,18H,11H2,1-3H3,(H2,21,22,23)/t12-,18?/m1/s1.
What are the key properties of [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide?
[(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(4-fluorophenyl)-2,2,3-trimethyl-3,4-dihydrochromen-7-yl]methanesulfonamide is sourced from PubChem (CID 123220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).