2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene

C17H18FNO4S — CID 146097580

IUPAC2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)CC(Nc1ccc(OS(=O)(=O)F)cc1)CC2
InChIInChI=1S/C17H18FNO4S/c1-22-17-7-3-12-2-4-15(10-13(12)11-17)19-14-5-8-16(9-6-14)23-24(18,20)21/h3,5-9,11,15,19H,2,4,10H2,1H3
InChIKeyGINXUWPWDVMFEP-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene

2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 146097580) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID146097580
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1ccc2c(c1)CC(Nc1ccc(OS(=O)(=O)F)cc1)CC2
InChIInChI=1S/C17H18FNO4S/c1-22-17-7-3-12-2-4-15(10-13(12)11-17)19-14-5-8-16(9-6-14)23-24(18,20)21/h3,5-9,11,15,19H,2,4,10H2,1H3
InChIKeyGINXUWPWDVMFEP-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510225
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(2-methoxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82712669
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510559

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene (CID 146097580) is 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene is COc1ccc2c(c1)CC(Nc1ccc(OS(=O)(=O)F)cc1)CC2.
What is the InChIKey of 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GINXUWPWDVMFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-22-17-7-3-12-2-4-15(10-13(12)11-17)19-14-5-8-16(9-6-14)23-24(18,20)21/h3,5-9,11,15,19H,2,4,10H2,1H3.
What are the key properties of 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene?
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 351.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 146097580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).