5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide

C13H14N6O2S2 — CID 171385204

IUPAC5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESNc1cccc(-c2ccc(S(=O)(=O)NCCn3cnnn3)s2)c1
InChIInChI=1S/C13H14N6O2S2/c14-11-3-1-2-10(8-11)12-4-5-13(22-12)23(20,21)16-6-7-19-9-15-17-18-19/h1-5,8-9,16H,6-7,14H2
InChIKeySJDDLPVFOWPJPV-UHFFFAOYSA-N
MW350.43 g/mol
LogP0.96
Rot. Bonds6

About 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide

5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 171385204) has the molecular formula C13H14N6O2S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID171385204
Molecular FormulaC13H14N6O2S2
Molecular Weight350.43 g/mol
Exact Mass350.06
IUPAC Name5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESNc1cccc(-c2ccc(S(=O)(=O)NCCn3cnnn3)s2)c1
InChIInChI=1S/C13H14N6O2S2/c14-11-3-1-2-10(8-11)12-4-5-13(22-12)23(20,21)16-6-7-19-9-15-17-18-19/h1-5,8-9,16H,6-7,14H2
InChIKeySJDDLPVFOWPJPV-UHFFFAOYSA-N
XLogP0.96
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 171385204) is 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide is Nc1cccc(-c2ccc(S(=O)(=O)NCCn3cnnn3)s2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SJDDLPVFOWPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S2/c14-11-3-1-2-10(8-11)12-4-5-13(22-12)23(20,21)16-6-7-19-9-15-17-18-19/h1-5,8-9,16H,6-7,14H2.
What are the key properties of 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 350.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-[2-(tetrazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 171385204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).