4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide

C21H20N4O3S — CID 60579200

IUPAC4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)c2ccccc12
InChIInChI=1S/C21H20N4O3S/c1-3-28-19-12-13-20(16-9-5-4-8-15(16)19)29(26,27)24-18-11-7-6-10-17(18)21-23-22-14-25(21)2/h4-14,24H,3H2,1-2H3
InChIKeyQULVFRARWYOZIM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.83
Rot. Bonds6

About 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide

4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide (PubChem CID 60579200) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
PubChem CID60579200
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)c2ccccc12
InChIInChI=1S/C21H20N4O3S/c1-3-28-19-12-13-20(16-9-5-4-8-15(16)19)29(26,27)24-18-11-7-6-10-17(18)21-23-22-14-25(21)2/h4-14,24H,3H2,1-2H3
InChIKeyQULVFRARWYOZIM-UHFFFAOYSA-N
XLogP3.83
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
CID 47062910
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707390
2-[(8-ethoxyquinolin-5-yl)sulfonylamino]benzamide
CID 25035028
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide (CID 60579200) is 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)c2ccccc12.
What is the InChIKey of 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is QULVFRARWYOZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-3-28-19-12-13-20(16-9-5-4-8-15(16)19)29(26,27)24-18-11-7-6-10-17(18)21-23-22-14-25(21)2/h4-14,24H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide?
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 60579200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).