2-(2-aminoethyl)naphthalene-1-sulfonamide

C12H14N2O2S — CID 67868912

IUPAC2-(2-aminoethyl)naphthalene-1-sulfonamide
SMILESNCCc1ccc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C12H14N2O2S/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)17(14,15)16/h1-6H,7-8,13H2,(H2,14,15,16)
InChIKeyAHMVRMYZHQPBSM-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.99
Rot. Bonds3

About 2-(2-aminoethyl)naphthalene-1-sulfonamide

2-(2-aminoethyl)naphthalene-1-sulfonamide (PubChem CID 67868912) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name2-(2-aminoethyl)naphthalene-1-sulfonamide
PubChem CID67868912
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(2-aminoethyl)naphthalene-1-sulfonamide
SMILESNCCc1ccc2ccccc2c1S(N)(=O)=O
InChIInChI=1S/C12H14N2O2S/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)17(14,15)16/h1-6H,7-8,13H2,(H2,14,15,16)
InChIKeyAHMVRMYZHQPBSM-UHFFFAOYSA-N
XLogP0.99
TPSA86.18 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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)naphthalene-1-sulfonamide?
The IUPAC name of 2-(2-aminoethyl)naphthalene-1-sulfonamide (CID 67868912) is 2-(2-aminoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 2-(2-aminoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 2-(2-aminoethyl)naphthalene-1-sulfonamide is NCCc1ccc2ccccc2c1S(N)(=O)=O.
What is the InChIKey of 2-(2-aminoethyl)naphthalene-1-sulfonamide?
The InChIKey is AHMVRMYZHQPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)17(14,15)16/h1-6H,7-8,13H2,(H2,14,15,16).
What are the key properties of 2-(2-aminoethyl)naphthalene-1-sulfonamide?
2-(2-aminoethyl)naphthalene-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 67868912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).