7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide

C13H11ClN4O2S — CID 67440708

IUPAC7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide
SMILESCNS(=O)(=O)c1ncc2ccc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C13H11ClN4O2S/c1-15-21(19,20)13-16-8-11-5-6-12(18(11)17-13)9-3-2-4-10(14)7-9/h2-8,15H,1H3
InChIKeyZSXFGYXNFHKANZ-UHFFFAOYSA-N
MW322.78 g/mol
LogP1.96
Rot. Bonds3

About 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide

7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide (PubChem CID 67440708) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide.

Molecular Properties

Compound Name7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide
PubChem CID67440708
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide
SMILESCNS(=O)(=O)c1ncc2ccc(-c3cccc(Cl)c3)n2n1
InChIInChI=1S/C13H11ClN4O2S/c1-15-21(19,20)13-16-8-11-5-6-12(18(11)17-13)9-3-2-4-10(14)7-9/h2-8,15H,1H3
InChIKeyZSXFGYXNFHKANZ-UHFFFAOYSA-N
XLogP1.96
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide?
The IUPAC name of 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide (CID 67440708) is 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide.
What is the SMILES notation for 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide?
The canonical SMILES for 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide is CNS(=O)(=O)c1ncc2ccc(-c3cccc(Cl)c3)n2n1.
What is the InChIKey of 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide?
The InChIKey is ZSXFGYXNFHKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-15-21(19,20)13-16-8-11-5-6-12(18(11)17-13)9-3-2-4-10(14)7-9/h2-8,15H,1H3.
What are the key properties of 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide?
7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide has a molecular weight of 322.78 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-N-methylpyrrolo[2,1-f][1,2,4]triazine-2-sulfonamide is sourced from PubChem (CID 67440708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).