4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide

C21H24ClN7O2S2 — CID 151799396

IUPAC4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide
SMILESCCNCCNc1cc(Cl)ccc1CNc1cccc2c1cnn2S(=O)(=O)Nc1nccs1
InChIInChI=1S/C21H24ClN7O2S2/c1-2-23-8-9-24-19-12-16(22)7-6-15(19)13-26-18-4-3-5-20-17(18)14-27-29(20)33(30,31)28-21-25-10-11-32-21/h3-7,10-12,14,23-24,26H,2,8-9,13H2,1H3,(H,25,28)
InChIKeyRYHCRRZGLGVPEQ-UHFFFAOYSA-N
MW506.06 g/mol
LogP3.98
Rot. Bonds11

About 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide

4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide (PubChem CID 151799396) has the molecular formula C21H24ClN7O2S2 and a molecular weight of 506.06 g/mol. Its IUPAC name is 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide.

Molecular Properties

Compound Name4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide
PubChem CID151799396
Molecular FormulaC21H24ClN7O2S2
Molecular Weight506.06 g/mol
Exact Mass505.11
IUPAC Name4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide
SMILESCCNCCNc1cc(Cl)ccc1CNc1cccc2c1cnn2S(=O)(=O)Nc1nccs1
InChIInChI=1S/C21H24ClN7O2S2/c1-2-23-8-9-24-19-12-16(22)7-6-15(19)13-26-18-4-3-5-20-17(18)14-27-29(20)33(30,31)28-21-25-10-11-32-21/h3-7,10-12,14,23-24,26H,2,8-9,13H2,1H3,(H,25,28)
InChIKeyRYHCRRZGLGVPEQ-UHFFFAOYSA-N
XLogP3.98
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.06
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide 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-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide?
The IUPAC name of 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide (CID 151799396) is 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide.
What is the SMILES notation for 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide?
The canonical SMILES for 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide is CCNCCNc1cc(Cl)ccc1CNc1cccc2c1cnn2S(=O)(=O)Nc1nccs1.
What is the InChIKey of 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide?
The InChIKey is RYHCRRZGLGVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2S2/c1-2-23-8-9-24-19-12-16(22)7-6-15(19)13-26-18-4-3-5-20-17(18)14-27-29(20)33(30,31)28-21-25-10-11-32-21/h3-7,10-12,14,23-24,26H,2,8-9,13H2,1H3,(H,25,28).
What are the key properties of 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide?
4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide has a molecular weight of 506.06 g/mol, XLogP of 3.98, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-N-(1,3-thiazol-2-yl)indazole-1-sulfonamide is sourced from PubChem (CID 151799396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).