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

C15H14N2O2S2 — CID 164612293

IUPAC5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12
InChIInChI=1S/C15H14N2O2S2/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
InChIKeyBWKSIASHDODEGA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.96
Rot. Bonds4

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

5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 164612293) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID164612293
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12
InChIInChI=1S/C15H14N2O2S2/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
InChIKeyBWKSIASHDODEGA-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.96
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?
The IUPAC name of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide (CID 164612293) is 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)NCc3cccs3)cccc12.
What is the InChIKey of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is BWKSIASHDODEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/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.
What are the key properties of 5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide?
5-amino-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 2.96, 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 is sourced from PubChem (CID 164612293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).