4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C16H18N4O4S — CID 53176163

IUPAC4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1n[nH]c(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3OC)cn12
InChIInChI=1S/C16H18N4O4S/c1-4-15-17-18-16(21)13-8-11(9-20(13)15)25(22,23)19-12-7-10(2)5-6-14(12)24-3/h5-9,19H,4H2,1-3H3,(H,18,21)
InChIKeyNRYBQIWDIXMOHJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.70
Rot. Bonds5

About 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53176163) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53176163
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCc1n[nH]c(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3OC)cn12
InChIInChI=1S/C16H18N4O4S/c1-4-15-17-18-16(21)13-8-11(9-20(13)15)25(22,23)19-12-7-10(2)5-6-14(12)24-3/h5-9,19H,4H2,1-3H3,(H,18,21)
InChIKeyNRYBQIWDIXMOHJ-UHFFFAOYSA-N
XLogP1.70
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide with MolForge

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Related Compounds

4-methyl-N-(3-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176000
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 5310306
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175986
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688116
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 109058641

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53176163) is 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCc1n[nH]c(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3OC)cn12.
What is the InChIKey of 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is NRYBQIWDIXMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-15-17-18-16(21)13-8-11(9-20(13)15)25(22,23)19-12-7-10(2)5-6-14(12)24-3/h5-9,19H,4H2,1-3H3,(H,18,21).
What are the key properties of 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxy-5-methylphenyl)-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53176163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).