4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide

C22H21N5O3S — CID 126492054

IUPAC4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3c(-c4ccc(NS(C)(=O)=O)cc4)ncnn3c2)cc1
InChIInChI=1S/C22H21N5O3S/c1-26(2)22(28)17-6-4-15(5-7-17)18-12-20-21(23-14-24-27(20)13-18)16-8-10-19(11-9-16)25-31(3,29)30/h4-14,25H,1-3H3
InChIKeySLSSRIAYOIZACF-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.14
Rot. Bonds5

About 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide

4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide (PubChem CID 126492054) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide
PubChem CID126492054
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3c(-c4ccc(NS(C)(=O)=O)cc4)ncnn3c2)cc1
InChIInChI=1S/C22H21N5O3S/c1-26(2)22(28)17-6-4-15(5-7-17)18-12-20-21(23-14-24-27(20)13-18)16-8-10-19(11-9-16)25-31(3,29)30/h4-14,25H,1-3H3
InChIKeySLSSRIAYOIZACF-UHFFFAOYSA-N
XLogP3.14
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propane-2-sulfonamide
CID 126492040
N-benzyl-1-[6-[4-(dimethylcarbamoyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 145015033
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421
2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492057
2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide
CID 159064937
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843
6-[4-(dimethylcarbamoyl)phenyl]-4-[(3-fluoro-3-methylbutan-2-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487477
6-[4-(methanesulfonamido)phenyl]-4-[(2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 123502961
N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
CID 63938687
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide (CID 126492054) is 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc3c(-c4ccc(NS(C)(=O)=O)cc4)ncnn3c2)cc1.
What is the InChIKey of 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is SLSSRIAYOIZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-26(2)22(28)17-6-4-15(5-7-17)18-12-20-21(23-14-24-27(20)13-18)16-8-10-19(11-9-16)25-31(3,29)30/h4-14,25H,1-3H3.
What are the key properties of 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide?
4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 435.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(methanesulfonamido)phenyl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 126492054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).