5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide

C15H20N2O3S — CID 47056598

IUPAC5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-4-17(13-8-6-5-7-9-13)12-14-10-11-15(20-14)21(18,19)16(2)3/h5-11H,4,12H2,1-3H3
InChIKeyGAKNWVSBPDKKJP-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.56
Rot. Bonds6

About 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide

5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 47056598) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID47056598
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1
InChIInChI=1S/C15H20N2O3S/c1-4-17(13-8-6-5-7-9-13)12-14-10-11-15(20-14)21(18,19)16(2)3/h5-11H,4,12H2,1-3H3
InChIKeyGAKNWVSBPDKKJP-UHFFFAOYSA-N
XLogP2.56
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide (CID 47056598) is 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide is CCN(Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1.
What is the InChIKey of 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is GAKNWVSBPDKKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-17(13-8-6-5-7-9-13)12-14-10-11-15(20-14)21(18,19)16(2)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethylanilino)methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 47056598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).