N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C24H18ClN3O2S3 — CID 57309366

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2cc(Cl)ccc2s1)c1ccc(CCc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C24H18ClN3O2S3/c25-18-9-12-21-20(14-18)27-24(32-21)28-33(29,30)19-10-6-16(7-11-19)8-13-23-26-15-22(31-23)17-4-2-1-3-5-17/h1-7,9-12,14-15H,8,13H2,(H,27,28)
InChIKeyBXKYLAPUOWZTHJ-UHFFFAOYSA-N
MW512.08 g/mol
LogP6.66
Rot. Bonds7

About N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 57309366) has the molecular formula C24H18ClN3O2S3 and a molecular weight of 512.08 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID57309366
Molecular FormulaC24H18ClN3O2S3
Molecular Weight512.08 g/mol
Exact Mass511.02
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2cc(Cl)ccc2s1)c1ccc(CCc2ncc(-c3ccccc3)s2)cc1
InChIInChI=1S/C24H18ClN3O2S3/c25-18-9-12-21-20(14-18)27-24(32-21)28-33(29,30)19-10-6-16(7-11-19)8-13-23-26-15-22(31-23)17-4-2-1-3-5-17/h1-7,9-12,14-15H,8,13H2,(H,27,28)
InChIKeyBXKYLAPUOWZTHJ-UHFFFAOYSA-N
XLogP6.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]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-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 57309366) is N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is O=S(=O)(Nc1nc2cc(Cl)ccc2s1)c1ccc(CCc2ncc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is BXKYLAPUOWZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S3/c25-18-9-12-21-20(14-18)27-24(32-21)28-33(29,30)19-10-6-16(7-11-19)8-13-23-26-15-22(31-23)17-4-2-1-3-5-17/h1-7,9-12,14-15H,8,13H2,(H,27,28).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 512.08 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-4-[2-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 57309366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).