N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

C20H24N2O2S — CID 51249518

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H24N2O2S/c1-22(2)15-19-10-6-5-9-18(19)14-21-25(23,24)20-12-11-16-7-3-4-8-17(16)13-20/h3-10,13,21H,11-12,14-15H2,1-2H3
InChIKeyHTZKRHRDIYKOOD-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.15
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 51249518) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID51249518
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C20H24N2O2S/c1-22(2)15-19-10-6-5-9-18(19)14-21-25(23,24)20-12-11-16-7-3-4-8-17(16)13-20/h3-10,13,21H,11-12,14-15H2,1-2H3
InChIKeyHTZKRHRDIYKOOD-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 51249518) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is CN(C)Cc1ccccc1CNS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is HTZKRHRDIYKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-22(2)15-19-10-6-5-9-18(19)14-21-25(23,24)20-12-11-16-7-3-4-8-17(16)13-20/h3-10,13,21H,11-12,14-15H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 51249518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).