N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide

C13H14N2O2S2 — CID 4208152

IUPACN-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(C=NNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2O2S2/c1-2-11-8-9-12(18-11)10-14-15-19(16,17)13-6-4-3-5-7-13/h3-10,15H,2H2,1H3
InChIKeyLRSRHNQDUZBLLD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.62
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide

N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 4208152) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID4208152
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(C=NNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N2O2S2/c1-2-11-8-9-12(18-11)10-14-15-19(16,17)13-6-4-3-5-7-13/h3-10,15H,2H2,1H3
InChIKeyLRSRHNQDUZBLLD-UHFFFAOYSA-N
XLogP2.62
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide (CID 4208152) is N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide is CCc1ccc(C=NNS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is LRSRHNQDUZBLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-2-11-8-9-12(18-11)10-14-15-19(16,17)13-6-4-3-5-7-13/h3-10,15H,2H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide?
N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 294.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 4208152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).