5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride

C15H15ClN2O2S2 — CID 164612292

IUPAC5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12
InChIInChI=1S/C15H14N2O2S2.ClH/c16-14-7-1-6-13-12(14)5-2-8-15(13)21(18,19)17-10-11-4-3-9-20-11;/h1-9,17H,10,16H2;1H
InChIKeyONOCLWWGTUTFGW-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.38
Rot. Bonds4

About 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride

5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride (PubChem CID 164612292) has the molecular formula C15H15ClN2O2S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
PubChem CID164612292
Molecular FormulaC15H15ClN2O2S2
Molecular Weight354.88 g/mol
Exact Mass354.03
IUPAC Name5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCl.Nc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12
InChIInChI=1S/C15H14N2O2S2.ClH/c16-14-7-1-6-13-12(14)5-2-8-15(13)21(18,19)17-10-11-4-3-9-20-11;/h1-9,17H,10,16H2;1H
InChIKeyONOCLWWGTUTFGW-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride (CID 164612292) is 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride is Cl.Nc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12.
What is the InChIKey of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is ONOCLWWGTUTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2.ClH/c16-14-7-1-6-13-12(14)5-2-8-15(13)21(18,19)17-10-11-4-3-9-20-11;/h1-9,17H,10,16H2;1H.
What are the key properties of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 164612292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).