1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide

C18H20FNO3S — CID 71803605

IUPAC1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C18H20FNO3S/c19-17-7-3-4-14(10-17)12-24(22,23)20-13-18(21)9-8-15-5-1-2-6-16(15)11-18/h1-7,10,20-21H,8-9,11-13H2
InChIKeyUBMXJBWFIORJHF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide (PubChem CID 71803605) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
PubChem CID71803605
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C18H20FNO3S/c19-17-7-3-4-14(10-17)12-24(22,23)20-13-18(21)9-8-15-5-1-2-6-16(15)11-18/h1-7,10,20-21H,8-9,11-13H2
InChIKeyUBMXJBWFIORJHF-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide (CID 71803605) is 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide?
The InChIKey is UBMXJBWFIORJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-17-7-3-4-14(10-17)12-24(22,23)20-13-18(21)9-8-15-5-1-2-6-16(15)11-18/h1-7,10,20-21H,8-9,11-13H2.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71803605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).