N-(1-aminoethyl)naphthalene-1-sulfonamide

C12H14N2O2S — CID 19972904

IUPACN-(1-aminoethyl)naphthalene-1-sulfonamide
SMILESCC(N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c1-9(13)14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,13H2,1H3
InChIKeyOKXNJWYJBSCURD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.42
Rot. Bonds3

About N-(1-aminoethyl)naphthalene-1-sulfonamide

N-(1-aminoethyl)naphthalene-1-sulfonamide (PubChem CID 19972904) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-aminoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-aminoethyl)naphthalene-1-sulfonamide
PubChem CID19972904
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1-aminoethyl)naphthalene-1-sulfonamide
SMILESCC(N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c1-9(13)14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,13H2,1H3
InChIKeyOKXNJWYJBSCURD-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-aminoethyl)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naphthalenesulfonamide
CID 163571
Naphthalene-2-sulfonamide
CID 232997
N-methyl-2-phenylbenzene-1-sulfonamide
CID 17917283
N-ethyl-2-phenylbenzene-1-sulfonamide
CID 101721160
N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide
CID 1960
N-(6-Aminohexyl)-1-naphthalenesulfonamide
CID 4314
n-Methylnaphthalene-2-sulfonamide
CID 233072
Naphthalene-1-sulfonic acid diaminomethyleneamide
CID 10682070
N-(6-aminohexyl)-1-naphthalenesulfonamide hydrochloride
CID 173829
N'-(1-Naphthylsulfonyl)Carbonohydrazonic Diamide
CID 4143375
N'-(2-Naphthylsulfonyl)Carbonohydrazonic Diamide
CID 5183332

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-aminoethyl)naphthalene-1-sulfonamide (CID 19972904) is N-(1-aminoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-aminoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-aminoethyl)naphthalene-1-sulfonamide is CC(N)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-aminoethyl)naphthalene-1-sulfonamide?
The InChIKey is OKXNJWYJBSCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9(13)14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,13H2,1H3.
What are the key properties of N-(1-aminoethyl)naphthalene-1-sulfonamide?
N-(1-aminoethyl)naphthalene-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 19972904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).