N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide

C24H24ClN5O2S — CID 87191524

IUPACN-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1)c1ccccc1
InChIInChI=1S/C24H24ClN5O2S/c25-22-13-16(21-15-27-24-20(21)7-4-12-26-24)14-23(29-22)28-17-8-10-18(11-9-17)30-33(31,32)19-5-2-1-3-6-19/h1-7,12-15,17-18,30H,8-11H2,(H,26,27)(H,28,29)
InChIKeyOPHRLUPQZOORLR-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide

N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide (PubChem CID 87191524) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide
PubChem CID87191524
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC NameN-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1)c1ccccc1
InChIInChI=1S/C24H24ClN5O2S/c25-22-13-16(21-15-27-24-20(21)7-4-12-26-24)14-23(29-22)28-17-8-10-18(11-9-17)30-33(31,32)19-5-2-1-3-6-19/h1-7,12-15,17-18,30H,8-11H2,(H,26,27)(H,28,29)
InChIKeyOPHRLUPQZOORLR-UHFFFAOYSA-N
XLogP4.98
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]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-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide (CID 87191524) is N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1)c1ccccc1.
What is the InChIKey of N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The InChIKey is OPHRLUPQZOORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c25-22-13-16(21-15-27-24-20(21)7-4-12-26-24)14-23(29-22)28-17-8-10-18(11-9-17)30-33(31,32)19-5-2-1-3-6-19/h1-7,12-15,17-18,30H,8-11H2,(H,26,27)(H,28,29).
What are the key properties of N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide has a molecular weight of 482.01 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 87191524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).