N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide

C10H12N4O4S — CID 106304253

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C10H12N4O4S/c1-2-14-7-11-13-9(14)5-12-19(16,17)10-4-3-8(6-15)18-10/h3-4,6-7,12H,2,5H2,1H3
InChIKeyXKPQZJGINCRUFI-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.18
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide (PubChem CID 106304253) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
PubChem CID106304253
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C10H12N4O4S/c1-2-14-7-11-13-9(14)5-12-19(16,17)10-4-3-8(6-15)18-10/h3-4,6-7,12H,2,5H2,1H3
InChIKeyXKPQZJGINCRUFI-UHFFFAOYSA-N
XLogP0.18
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106302320
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 47064982
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)benzenesulfonamide
CID 106304082
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylfuran-3-sulfonamide
CID 106304313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47064994
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2-benzoxazole-5-sulfonamide
CID 126818073
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 106303562
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47318751
4-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 60539732

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide (CID 106304253) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1ccc(C=O)o1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide?
The InChIKey is XKPQZJGINCRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-2-14-7-11-13-9(14)5-12-19(16,17)10-4-3-8(6-15)18-10/h3-4,6-7,12H,2,5H2,1H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide has a molecular weight of 284.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide is sourced from PubChem (CID 106304253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).