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

C13H20N2O4S2 — CID 7635607

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O4S2/c1-10(2)21(18,19)14-13-9-12(6-5-11(13)3)15-7-4-8-20(15,16)17/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyDIHPDAFMRVGJJK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds4

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

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide (PubChem CID 7635607) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide
PubChem CID7635607
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O4S2/c1-10(2)21(18,19)14-13-9-12(6-5-11(13)3)15-7-4-8-20(15,16)17/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyDIHPDAFMRVGJJK-UHFFFAOYSA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
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]propane-2-sulfonamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide (CID 7635607) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide is Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide?
The InChIKey is DIHPDAFMRVGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-10(2)21(18,19)14-13-9-12(6-5-11(13)3)15-7-4-8-20(15,16)17/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]propane-2-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.69, 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]propane-2-sulfonamide is sourced from PubChem (CID 7635607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).