3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C29H26N14O5S3 — CID 130238312

IUPAC3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(CN3CCOCC3)sc2-n2nnc(-c3c(-c4c[nH]c5nccnc45)cccc3S(N)(=O)=O)n2)c1-c1nn[nH]n1
InChIInChI=1S/C29H26N14O5S3/c30-50(44,45)21-5-1-3-17(23(21)26-35-39-40-36-26)19-13-16(15-42-9-11-48-12-10-42)49-29(19)43-38-27(37-41-43)24-18(4-2-6-22(24)51(31,46)47)20-14-34-28-25(20)32-7-8-33-28/h1-8,13-14H,9-12,15H2,(H,33,34)(H2,30,44,45)(H2,31,46,47)(H,35,36,39,40)
InChIKeyVIZBBYJZZSQZIU-UHFFFAOYSA-N
MW746.82 g/mol
LogP1.30
Rot. Bonds9

About 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 130238312) has the molecular formula C29H26N14O5S3 and a molecular weight of 746.82 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID130238312
Molecular FormulaC29H26N14O5S3
Molecular Weight746.82 g/mol
Exact Mass746.14
IUPAC Name3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(CN3CCOCC3)sc2-n2nnc(-c3c(-c4c[nH]c5nccnc45)cccc3S(N)(=O)=O)n2)c1-c1nn[nH]n1
InChIInChI=1S/C29H26N14O5S3/c30-50(44,45)21-5-1-3-17(23(21)26-35-39-40-36-26)19-13-16(15-42-9-11-48-12-10-42)49-29(19)43-38-27(37-41-43)24-18(4-2-6-22(24)51(31,46)47)20-14-34-28-25(20)32-7-8-33-28/h1-8,13-14H,9-12,15H2,(H,33,34)(H2,30,44,45)(H2,31,46,47)(H,35,36,39,40)
InChIKeyVIZBBYJZZSQZIU-UHFFFAOYSA-N
XLogP1.30
TPSA272.42 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.82
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-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 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 130238312) is 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cc(CN3CCOCC3)sc2-n2nnc(-c3c(-c4c[nH]c5nccnc45)cccc3S(N)(=O)=O)n2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is VIZBBYJZZSQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N14O5S3/c30-50(44,45)21-5-1-3-17(23(21)26-35-39-40-36-26)19-13-16(15-42-9-11-48-12-10-42)49-29(19)43-38-27(37-41-43)24-18(4-2-6-22(24)51(31,46)47)20-14-34-28-25(20)32-7-8-33-28/h1-8,13-14H,9-12,15H2,(H,33,34)(H2,30,44,45)(H2,31,46,47)(H,35,36,39,40).
What are the key properties of 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 746.82 g/mol, XLogP of 1.30, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)-2-[5-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-sulfamoylphenyl]tetrazol-2-yl]thiophen-3-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 130238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).