4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide

C22H21N3O2S — CID 89489091

IUPAC4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c[nH]c3nccc(-c4cccc(C)c4)c23)cc1
InChIInChI=1S/C22H21N3O2S/c1-15-6-8-19(9-7-15)28(26,27)25-14-18-13-24-22-21(18)20(10-11-23-22)17-5-3-4-16(2)12-17/h3-13,25H,14H2,1-2H3,(H,23,24)
InChIKeyDYPMBGIATSZNTE-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.33
Rot. Bonds5

About 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide

4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide (PubChem CID 89489091) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide
PubChem CID89489091
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c[nH]c3nccc(-c4cccc(C)c4)c23)cc1
InChIInChI=1S/C22H21N3O2S/c1-15-6-8-19(9-7-15)28(26,27)25-14-18-13-24-22-21(18)20(10-11-23-22)17-5-3-4-16(2)12-17/h3-13,25H,14H2,1-2H3,(H,23,24)
InChIKeyDYPMBGIATSZNTE-UHFFFAOYSA-N
XLogP4.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide (CID 89489091) is 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c[nH]c3nccc(-c4cccc(C)c4)c23)cc1.
What is the InChIKey of 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide?
The InChIKey is DYPMBGIATSZNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-6-8-19(9-7-15)28(26,27)25-14-18-13-24-22-21(18)20(10-11-23-22)17-5-3-4-16(2)12-17/h3-13,25H,14H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide?
4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 89489091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).