4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide

C15H14BrClN2O4S2 — CID 43955529

IUPAC4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O4S2/c16-11-2-5-13(6-3-11)25(22,23)18-12-4-7-14(17)15(10-12)19-8-1-9-24(19,20)21/h2-7,10,18H,1,8-9H2
InChIKeyOUBOIRZMRRXCQZ-UHFFFAOYSA-N
MW465.78 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide

4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 43955529) has the molecular formula C15H14BrClN2O4S2 and a molecular weight of 465.78 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
PubChem CID43955529
Molecular FormulaC15H14BrClN2O4S2
Molecular Weight465.78 g/mol
Exact Mass463.93
IUPAC Name4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O4S2/c16-11-2-5-13(6-3-11)25(22,23)18-12-4-7-14(17)15(10-12)19-8-1-9-24(19,20)21/h2-7,10,18H,1,8-9H2
InChIKeyOUBOIRZMRRXCQZ-UHFFFAOYSA-N
XLogP3.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
CID 110621319
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 7483111
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 43955540
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112505838
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide (CID 43955529) is 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is OUBOIRZMRRXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O4S2/c16-11-2-5-13(6-3-11)25(22,23)18-12-4-7-14(17)15(10-12)19-8-1-9-24(19,20)21/h2-7,10,18H,1,8-9H2.
What are the key properties of 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide?
4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 465.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43955529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).