8-amino-N,N-dimethylnaphthalene-1-sulfonamide

C12H14N2O2S — CID 19430009

IUPAC8-amino-N,N-dimethylnaphthalene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc(N)c12
InChIInChI=1S/C12H14N2O2S/c1-14(2)17(15,16)11-8-4-6-9-5-3-7-10(13)12(9)11/h3-8H,13H2,1-2H3
InChIKeySGSJGCGGIIBDQR-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.67
Rot. Bonds2

About 8-amino-N,N-dimethylnaphthalene-1-sulfonamide

8-amino-N,N-dimethylnaphthalene-1-sulfonamide (PubChem CID 19430009) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 8-amino-N,N-dimethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-amino-N,N-dimethylnaphthalene-1-sulfonamide
PubChem CID19430009
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name8-amino-N,N-dimethylnaphthalene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc(N)c12
InChIInChI=1S/C12H14N2O2S/c1-14(2)17(15,16)11-8-4-6-9-5-3-7-10(13)12(9)11/h3-8H,13H2,1-2H3
InChIKeySGSJGCGGIIBDQR-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

magnesium 8-aminonaphthalene-1-sulfonate
CID 3017064
ethane;naphthalene-1,8-diamine
CID 90905453
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
3-bromo-N,N,2-trimethylbenzenesulfonamide
CID 162727630
N,N-dimethyl-2-(methyliminomethyl)benzenesulfonamide
CID 123778385
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2-amino-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116905
2-N,2-N-dimethyl-1-N-(oxomethylidene)benzene-1,2-disulfonamide
CID 13392679
7,8-diaminonaphthalene-1-sulfonic acid
CID 82254374
1-N,1-N,5-N-trimethylnaphthalene-1,5-disulfonamide
CID 54107174
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230

Frequently Asked Questions

What is the IUPAC name of 8-amino-N,N-dimethylnaphthalene-1-sulfonamide?
The IUPAC name of 8-amino-N,N-dimethylnaphthalene-1-sulfonamide (CID 19430009) is 8-amino-N,N-dimethylnaphthalene-1-sulfonamide.
What is the SMILES notation for 8-amino-N,N-dimethylnaphthalene-1-sulfonamide?
The canonical SMILES for 8-amino-N,N-dimethylnaphthalene-1-sulfonamide is CN(C)S(=O)(=O)c1cccc2cccc(N)c12.
What is the InChIKey of 8-amino-N,N-dimethylnaphthalene-1-sulfonamide?
The InChIKey is SGSJGCGGIIBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(2)17(15,16)11-8-4-6-9-5-3-7-10(13)12(9)11/h3-8H,13H2,1-2H3.
What are the key properties of 8-amino-N,N-dimethylnaphthalene-1-sulfonamide?
8-amino-N,N-dimethylnaphthalene-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N,N-dimethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 19430009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).