2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride

C10H10ClNO5S2 — CID 16641363

IUPAC2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
SMILESCc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClNO5S2/c1-7-6-8(2-3-9(7)19(11,16)17)12-10(13)4-5-18(12,14)15/h2-3,6H,4-5H2,1H3
InChIKeyHGSSMWNUDWBIQQ-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.99
Rot. Bonds2

About 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride

2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride (PubChem CID 16641363) has the molecular formula C10H10ClNO5S2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
PubChem CID16641363
Molecular FormulaC10H10ClNO5S2
Molecular Weight323.78 g/mol
Exact Mass322.97
IUPAC Name2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
SMILESCc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Cl
InChIInChI=1S/C10H10ClNO5S2/c1-7-6-8(2-3-9(7)19(11,16)17)12-10(13)4-5-18(12,14)15/h2-3,6H,4-5H2,1H3
InChIKeyHGSSMWNUDWBIQQ-UHFFFAOYSA-N
XLogP0.99
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride (CID 16641363) is 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride is Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The InChIKey is HGSSMWNUDWBIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO5S2/c1-7-6-8(2-3-9(7)19(11,16)17)12-10(13)4-5-18(12,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride has a molecular weight of 323.78 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 16641363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).