N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide

C10H13ClN2O4S2 — CID 7627398

IUPACN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O4S2/c1-18(14,15)12-10-4-3-8(7-9(10)11)13-5-2-6-19(13,16)17/h3-4,7,12H,2,5-6H2,1H3
InChIKeyKLCBEBNAQWTOJI-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.25
Rot. Bonds3

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

N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide (PubChem CID 7627398) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
PubChem CID7627398
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O4S2/c1-18(14,15)12-10-4-3-8(7-9(10)11)13-5-2-6-19(13,16)17/h3-4,7,12H,2,5-6H2,1H3
InChIKeyKLCBEBNAQWTOJI-UHFFFAOYSA-N
XLogP1.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7627410
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
CID 7627402
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
[2-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7482876
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
ethyl 4-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-oxobutanoate
CID 7482878
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
benzyl N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7482889
4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(methylsulfamoyl)aniline
CID 110621319
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide (CID 7627398) is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide?
The InChIKey is KLCBEBNAQWTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c1-18(14,15)12-10-4-3-8(7-9(10)11)13-5-2-6-19(13,16)17/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide?
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide has a molecular weight of 324.81 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 7627398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).