N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide

C9H8N2O3S2 — CID 12704250

IUPACN-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
SMILESO=S(=O)(N/N=C/c1ccco1)c1cccs1
InChIInChI=1S/C9H8N2O3S2/c12-16(13,9-4-2-6-15-9)11-10-7-8-3-1-5-14-8/h1-7,11H/b10-7+
InChIKeyLNVOQOSHHONANJ-JXMROGBWSA-N
MW256.31 g/mol
LogP1.65
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide

N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide (PubChem CID 12704250) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
PubChem CID12704250
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
SMILESO=S(=O)(N/N=C/c1ccco1)c1cccs1
InChIInChI=1S/C9H8N2O3S2/c12-16(13,9-4-2-6-15-9)11-10-7-8-3-1-5-14-8/h1-7,11H/b10-7+
InChIKeyLNVOQOSHHONANJ-JXMROGBWSA-N
XLogP1.65
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide (CID 12704250) is N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide is O=S(=O)(N/N=C/c1ccco1)c1cccs1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide?
The InChIKey is LNVOQOSHHONANJ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c12-16(13,9-4-2-6-15-9)11-10-7-8-3-1-5-14-8/h1-7,11H/b10-7+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide?
N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide has a molecular weight of 256.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 12704250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).