4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide

C19H17N3O2S2 — CID 58086780

IUPAC4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c[nH]c3ncc(-c4ccsc4)cc23)cc1
InChIInChI=1S/C19H17N3O2S2/c1-13-2-4-17(5-3-13)26(23,24)22-11-16-10-21-19-18(16)8-15(9-20-19)14-6-7-25-12-14/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyCUADAKSZIZYMFU-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.08
Rot. Bonds5

About 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide

4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide (PubChem CID 58086780) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide
PubChem CID58086780
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c[nH]c3ncc(-c4ccsc4)cc23)cc1
InChIInChI=1S/C19H17N3O2S2/c1-13-2-4-17(5-3-13)26(23,24)22-11-16-10-21-19-18(16)8-15(9-20-19)14-6-7-25-12-14/h2-10,12,22H,11H2,1H3,(H,20,21)
InChIKeyCUADAKSZIZYMFU-UHFFFAOYSA-N
XLogP4.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide (CID 58086780) is 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c[nH]c3ncc(-c4ccsc4)cc23)cc1.
What is the InChIKey of 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide?
The InChIKey is CUADAKSZIZYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13-2-4-17(5-3-13)26(23,24)22-11-16-10-21-19-18(16)8-15(9-20-19)14-6-7-25-12-14/h2-10,12,22H,11H2,1H3,(H,20,21).
What are the key properties of 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 58086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).