N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide

C22H27FN2O2S — CID 57467299

IUPACN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2S/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2
InChIKeyHDXHECMDIOIODV-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.40
Rot. Bonds6

About N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide

N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide (PubChem CID 57467299) has the molecular formula C22H27FN2O2S and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
PubChem CID57467299
Molecular FormulaC22H27FN2O2S
Molecular Weight402.54 g/mol
Exact Mass402.18
IUPAC NameN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2S/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2
InChIKeyHDXHECMDIOIODV-UHFFFAOYSA-N
XLogP3.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.40
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-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide (CID 57467299) is N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide is NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The InChIKey is HDXHECMDIOIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2S/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2.
What are the key properties of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide has a molecular weight of 402.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 57467299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).