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

C20H18N4O2S — CID 173238979

IUPAC4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccnc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H18N4O2S/c21-27(25,26)16-8-6-14(7-9-16)12-23-18-10-11-22-20-19(18)17(13-24-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyMZTCEUIFSKVDKY-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.49
Rot. Bonds5

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

4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 173238979) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID173238979
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccnc3[nH]cc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H18N4O2S/c21-27(25,26)16-8-6-14(7-9-16)12-23-18-10-11-22-20-19(18)17(13-24-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyMZTCEUIFSKVDKY-UHFFFAOYSA-N
XLogP3.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide (CID 173238979) is 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccnc3[nH]cc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is MZTCEUIFSKVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c21-27(25,26)16-8-6-14(7-9-16)12-23-18-10-11-22-20-19(18)17(13-24-20)15-4-2-1-3-5-15/h1-11,13H,12H2,(H2,21,25,26)(H2,22,23,24).
What are the key properties of 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 173238979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).