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

C23H28N4O4S2 — CID 71462267

IUPACN-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)cc2)CC1
InChIInChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26)
InChIKeyFOQWDEYRKZAGHG-UHFFFAOYSA-N
MW488.64 g/mol
LogP2.55
Rot. Bonds5

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

N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 71462267) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID71462267
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC NameN-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)cc2)CC1
InChIInChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26)
InChIKeyFOQWDEYRKZAGHG-UHFFFAOYSA-N
XLogP2.55
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-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 N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 71462267) is N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)cc2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is FOQWDEYRKZAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26).
What are the key properties of N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 488.64 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 71462267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).