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

C12H17ClN2O4S2 — CID 7627402

IUPACN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-2-7-20(16,17)14-12-5-4-10(9-11(12)13)15-6-3-8-21(15,18)19/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyTYYXMWKLZDIBSP-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.03
Rot. Bonds5

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

N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 7627402) has the molecular formula C12H17ClN2O4S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
PubChem CID7627402
Molecular FormulaC12H17ClN2O4S2
Molecular Weight352.87 g/mol
Exact Mass352.03
IUPAC NameN-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-2-7-20(16,17)14-12-5-4-10(9-11(12)13)15-6-3-8-21(15,18)19/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyTYYXMWKLZDIBSP-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide (CID 7627402) is N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide is CCCS(=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]propane-1-sulfonamide?
The InChIKey is TYYXMWKLZDIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S2/c1-2-7-20(16,17)14-12-5-4-10(9-11(12)13)15-6-3-8-21(15,18)19/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide?
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 352.87 g/mol, XLogP of 2.03, 5 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]propane-1-sulfonamide is sourced from PubChem (CID 7627402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).