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

C19H21FN4O2S — CID 11760896

IUPAC4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C19H21FN4O2S/c1-24-10-8-13(9-11-24)16-12-21-17-6-7-18(22-19(16)17)23-27(25,26)15-4-2-14(20)3-5-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,23)
InChIKeyMIOFBYAUBLTWKU-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.31
Rot. Bonds4

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

4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide (PubChem CID 11760896) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
PubChem CID11760896
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C19H21FN4O2S/c1-24-10-8-13(9-11-24)16-12-21-17-6-7-18(22-19(16)17)23-27(25,26)15-4-2-14(20)3-5-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,23)
InChIKeyMIOFBYAUBLTWKU-UHFFFAOYSA-N
XLogP3.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide (CID 11760896) is 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide is CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide?
The InChIKey is MIOFBYAUBLTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-24-10-8-13(9-11-24)16-12-21-17-6-7-18(22-19(16)17)23-27(25,26)15-4-2-14(20)3-5-15/h2-7,12-13,21H,8-11H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide?
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 11760896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).