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

C21H28N2O2S — CID 57471314

IUPACN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3
InChIKeyLAJRMLHKDHAMOJ-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.12
Rot. Bonds7

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

N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide (PubChem CID 57471314) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide
PubChem CID57471314
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3
InChIKeyLAJRMLHKDHAMOJ-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.12
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-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide (CID 57471314) is N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.
What is the InChIKey of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is LAJRMLHKDHAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3.
What are the key properties of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide?
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.12, 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-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 57471314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).