2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide

C22H29N3O2S — CID 53144918

IUPAC2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1C
InChIInChI=1S/C22H29N3O2S/c1-15(2)13-25-14-19(20-7-6-9-23-22(20)25)8-10-24-28(26,27)21-12-17(4)16(3)11-18(21)5/h6-7,9,11-12,14-15,24H,8,10,13H2,1-5H3
InChIKeyPZQLTOYJDRXFNE-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.14
Rot. Bonds7

About 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide

2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 53144918) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
PubChem CID53144918
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1C
InChIInChI=1S/C22H29N3O2S/c1-15(2)13-25-14-19(20-7-6-9-23-22(20)25)8-10-24-28(26,27)21-12-17(4)16(3)11-18(21)5/h6-7,9,11-12,14-15,24H,8,10,13H2,1-5H3
InChIKeyPZQLTOYJDRXFNE-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859
3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
3-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144909
3,5-dimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 53144905
3-methoxy-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144927
N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53144899
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 53144886
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 53144736
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144929
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 53144918) is 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is PZQLTOYJDRXFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-15(2)13-25-14-19(20-7-6-9-23-22(20)25)8-10-24-28(26,27)21-12-17(4)16(3)11-18(21)5/h6-7,9,11-12,14-15,24H,8,10,13H2,1-5H3.
What are the key properties of 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide?
2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 399.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53144918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).