4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline

C10H14ClN3O4S2 — CID 110621319

IUPAC4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14ClN3O4S2/c1-12-20(17,18)13-8-3-4-9(11)10(7-8)14-5-2-6-19(14,15)16/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyOEPNIGVGOIYTNS-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.76
Rot. Bonds4

About 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline

4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline (PubChem CID 110621319) has the molecular formula C10H14ClN3O4S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Name4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
PubChem CID110621319
Molecular FormulaC10H14ClN3O4S2
Molecular Weight339.83 g/mol
Exact Mass339.01
IUPAC Name4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14ClN3O4S2/c1-12-20(17,18)13-8-3-4-9(11)10(7-8)14-5-2-6-19(14,15)16/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyOEPNIGVGOIYTNS-UHFFFAOYSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 43955529
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
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-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylbenzamide
CID 7638884
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7483299
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7483313
1-(4-butoxyphenyl)-3-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
CID 30375397
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline?
The IUPAC name of 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline (CID 110621319) is 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline.
What is the SMILES notation for 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline?
The canonical SMILES for 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline is CNS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline?
The InChIKey is OEPNIGVGOIYTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S2/c1-12-20(17,18)13-8-3-4-9(11)10(7-8)14-5-2-6-19(14,15)16/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline?
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline has a molecular weight of 339.83 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline is sourced from PubChem (CID 110621319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).