N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide

C23H26ClFN4O4S2 — CID 130383851

IUPACN-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(F)cncc1Cl
InChIInChI=1S/C23H26ClFN4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)22(34-23)16-4-5-19(32-3)20(10-16)35(30,31)29-21-17(24)11-26-12-18(21)25/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyGTWJICYHYNPVRT-UHFFFAOYSA-N
MW541.07 g/mol
LogP5.34
Rot. Bonds8

About N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide

N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 130383851) has the molecular formula C23H26ClFN4O4S2 and a molecular weight of 541.07 g/mol. Its IUPAC name is N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID130383851
Molecular FormulaC23H26ClFN4O4S2
Molecular Weight541.07 g/mol
Exact Mass540.11
IUPAC NameN-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(F)cncc1Cl
InChIInChI=1S/C23H26ClFN4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)22(34-23)16-4-5-19(32-3)20(10-16)35(30,31)29-21-17(24)11-26-12-18(21)25/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyGTWJICYHYNPVRT-UHFFFAOYSA-N
XLogP5.34
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-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 N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide (CID 130383851) is N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is COc1ccc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1c(F)cncc1Cl.
What is the InChIKey of N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is GTWJICYHYNPVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)22(34-23)16-4-5-19(32-3)20(10-16)35(30,31)29-21-17(24)11-26-12-18(21)25/h4-5,10-13,15H,6-9H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide?
N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 541.07 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluoro-4-pyridinyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 130383851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).