N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

C21H27FN2O2S — CID 57467291

IUPACN-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2
InChIInChI=1S/C21H27FN2O2S/c1-2-11-27(25,26)24-14-16-3-6-17-7-10-21(23)20(19(17)13-16)12-15-4-8-18(22)9-5-15/h3-6,8-9,13,20-21,24H,2,7,10-12,14,23H2,1H3
InChIKeyBZRWQTBKAWCEII-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.25
Rot. Bonds7

About N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 57467291) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
PubChem CID57467291
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2
InChIInChI=1S/C21H27FN2O2S/c1-2-11-27(25,26)24-14-16-3-6-17-7-10-21(23)20(19(17)13-16)12-15-4-8-18(22)9-5-15/h3-6,8-9,13,20-21,24H,2,7,10-12,14,23H2,1H3
InChIKeyBZRWQTBKAWCEII-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (CID 57467291) is N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2.
What is the InChIKey of N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is BZRWQTBKAWCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-2-11-27(25,26)24-14-16-3-6-17-7-10-21(23)20(19(17)13-16)12-15-4-8-18(22)9-5-15/h3-6,8-9,13,20-21,24H,2,7,10-12,14,23H2,1H3.
What are the key properties of N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 390.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 57467291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).