4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide

C19H22N2O3S2 — CID 46388730

IUPAC4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C19H22N2O3S2/c1-13(2)10-14-6-8-17(9-7-14)26(23,24)21-16-5-3-4-15(11-16)19-20-18(22)12-25-19/h3-9,11,13,19,21H,10,12H2,1-2H3,(H,20,22)
InChIKeyXFDYYXHFQZQKEE-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.55
Rot. Bonds6

About 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide

4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 46388730) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
PubChem CID46388730
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C19H22N2O3S2/c1-13(2)10-14-6-8-17(9-7-14)26(23,24)21-16-5-3-4-15(11-16)19-20-18(22)12-25-19/h3-9,11,13,19,21H,10,12H2,1-2H3,(H,20,22)
InChIKeyXFDYYXHFQZQKEE-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (CID 46388730) is 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is XFDYYXHFQZQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-13(2)10-14-6-8-17(9-7-14)26(23,24)21-16-5-3-4-15(11-16)19-20-18(22)12-25-19/h3-9,11,13,19,21H,10,12H2,1-2H3,(H,20,22).
What are the key properties of 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46388730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).