4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C18H20ClN5O3S2 — CID 168583262

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C18H20ClN5O3S2/c19-18-21-11-16(28-18)10-20-13-1-3-17(4-2-13)29(25,26)23-14-9-22-24(12-14)15-5-7-27-8-6-15/h1-4,9,11-12,15,20,23H,5-8,10H2
InChIKeyBASNELVICITVKG-UHFFFAOYSA-N
MW453.98 g/mol
LogP3.76
Rot. Bonds7

About 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 168583262) has the molecular formula C18H20ClN5O3S2 and a molecular weight of 453.98 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID168583262
Molecular FormulaC18H20ClN5O3S2
Molecular Weight453.98 g/mol
Exact Mass453.07
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C18H20ClN5O3S2/c19-18-21-11-16(28-18)10-20-13-1-3-17(4-2-13)29(25,26)23-14-9-22-24(12-14)15-5-7-27-8-6-15/h1-4,9,11-12,15,20,23H,5-8,10H2
InChIKeyBASNELVICITVKG-UHFFFAOYSA-N
XLogP3.76
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.98
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-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 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 168583262) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is BASNELVICITVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S2/c19-18-21-11-16(28-18)10-20-13-1-3-17(4-2-13)29(25,26)23-14-9-22-24(12-14)15-5-7-27-8-6-15/h1-4,9,11-12,15,20,23H,5-8,10H2.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 453.98 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 168583262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).