4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide

C14H16N2O2S2 — CID 2321125

IUPAC4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide
SMILESCc1ccsc1/C=N/CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O2S2/c1-11-7-9-19-14(11)10-16-8-6-12-2-4-13(5-3-12)20(15,17)18/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18)/b16-10+
InChIKeyPPMDEDHYCDYTAV-MHWRWJLKSA-N
MW308.43 g/mol
LogP2.37
Rot. Bonds5

About 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide

4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 2321125) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID2321125
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide
SMILESCc1ccsc1/C=N/CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H16N2O2S2/c1-11-7-9-19-14(11)10-16-8-6-12-2-4-13(5-3-12)20(15,17)18/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18)/b16-10+
InChIKeyPPMDEDHYCDYTAV-MHWRWJLKSA-N
XLogP2.37
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide (CID 2321125) is 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide is Cc1ccsc1/C=N/CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is PPMDEDHYCDYTAV-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-11-7-9-19-14(11)10-16-8-6-12-2-4-13(5-3-12)20(15,17)18/h2-5,7,9-10H,6,8H2,1H3,(H2,15,17,18)/b16-10+.
What are the key properties of 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylthiophen-2-yl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2321125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).