N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H26N2O2S — CID 26542362

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N2O2S/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/h5-6,9-13,21H,3-4,7-8,14-15H2,1-2H3
InChIKeyJMRGEYNJUCMOAV-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.11
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 26542362) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID26542362
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N2O2S/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/h5-6,9-13,21H,3-4,7-8,14-15H2,1-2H3
InChIKeyJMRGEYNJUCMOAV-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26543166
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 26542292
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
N-[[4-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26541394
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110642085
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 51249518
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24554510

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 26542362) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JMRGEYNJUCMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/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/h5-6,9-13,21H,3-4,7-8,14-15H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.11, 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]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 26542362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).