N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H24FNO3S — CID 97428462

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F
InChIInChI=1S/C20H24FNO3S/c1-20(25-2,18-9-5-6-10-19(18)21)14-22-26(23,24)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13,22H,3-4,7-8,14H2,1-2H3/t20-/m0/s1
InChIKeyBOFZZELWRORSIM-FQEVSTJZSA-N
MW377.48 g/mol
LogP3.54
Rot. Bonds6

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 97428462) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID97428462
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F
InChIInChI=1S/C20H24FNO3S/c1-20(25-2,18-9-5-6-10-19(18)21)14-22-26(23,24)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13,22H,3-4,7-8,14H2,1-2H3/t20-/m0/s1
InChIKeyBOFZZELWRORSIM-FQEVSTJZSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenesulfonamide
CID 2836278
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56764232
[(R)-2-(m-fluorophenyl)-2-methoxyethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97553529
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylbenzenesulfonamide
CID 2877826
(R)-2-phenyl-1-(3,4-xylylsulfonylamino)-2-propanol
CID 95368041
4-fluoro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide
CID 35391900
2-(4-Fluorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
CID 42949951
N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
CID 91352306
N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91603985
3-butyl-4-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 165177951
4-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-2-oxaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide
CID 178613647
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-
CID 13793578

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 97428462) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is BOFZZELWRORSIM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-20(25-2,18-9-5-6-10-19(18)21)14-22-26(23,24)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13,22H,3-4,7-8,14H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 377.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 97428462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).