N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide

C12H18N2O4S2 — CID 7635599

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C12H18N2O4S2/c1-3-19(15,16)13-12-9-11(6-5-10(12)2)14-7-4-8-20(14,17)18/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyUWZSCWAHLYCAHR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.30
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide (PubChem CID 7635599) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide
PubChem CID7635599
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C12H18N2O4S2/c1-3-19(15,16)13-12-9-11(6-5-10(12)2)14-7-4-8-20(14,17)18/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyUWZSCWAHLYCAHR-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide (CID 7635599) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide?
The InChIKey is UWZSCWAHLYCAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-3-19(15,16)13-12-9-11(6-5-10(12)2)14-7-4-8-20(14,17)18/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]ethanesulfonamide is sourced from PubChem (CID 7635599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).