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

C14H22N2O4S2 — CID 7635604

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C14H22N2O4S2/c1-11(2)10-21(17,18)15-14-9-13(6-5-12(14)3)16-7-4-8-22(16,19)20/h5-6,9,11,15H,4,7-8,10H2,1-3H3
InChIKeyPHDHVMLLIYHSMV-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.93
Rot. Bonds5

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

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide (PubChem CID 7635604) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide
PubChem CID7635604
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C14H22N2O4S2/c1-11(2)10-21(17,18)15-14-9-13(6-5-12(14)3)16-7-4-8-22(16,19)20/h5-6,9,11,15H,4,7-8,10H2,1-3H3
InChIKeyPHDHVMLLIYHSMV-UHFFFAOYSA-N
XLogP1.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.93
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]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide (CID 7635604) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide is Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)CC(C)C.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide?
The InChIKey is PHDHVMLLIYHSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-11(2)10-21(17,18)15-14-9-13(6-5-12(14)3)16-7-4-8-22(16,19)20/h5-6,9,11,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 346.47 g/mol, XLogP of 1.93, 5 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]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 7635604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).