N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide

C19H20N2O2S — CID 3709466

IUPACN-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-21(2)17-12-10-15(11-13-17)14-20-24(22,23)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,14H2,1-2H3
InChIKeyPPDRWZPPHUHGIW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.38
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide

N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide (PubChem CID 3709466) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
PubChem CID3709466
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-21(2)17-12-10-15(11-13-17)14-20-24(22,23)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,14H2,1-2H3
InChIKeyPPDRWZPPHUHGIW-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzylnaphthalene-1-sulfonamide
CID 3844256
2-cyano-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 9031818
[5-[[4-(dimethylamino)phenyl]methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate
CID 10128406
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]naphthalene-1-sulfonamide
CID 7498156
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122322384
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide (CID 3709466) is N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is PPDRWZPPHUHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21(2)17-12-10-15(11-13-17)14-20-24(22,23)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20H,14H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3709466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).