N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide

C12H13ClN2O2S — CID 1960

IUPACN-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2
InChIKeyACIMRXKJKQGBGL-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.73
Rot. Bonds4

About N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide

N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide (PubChem CID 1960) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide
PubChem CID1960
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide
SMILESNCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2
InChIKeyACIMRXKJKQGBGL-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide (CID 1960) is N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide is NCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide?
The InChIKey is ACIMRXKJKQGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2.
What are the key properties of N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide?
N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide has a molecular weight of 284.77 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 1960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).