N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C15H22N2O6S2 — CID 22694967

IUPACN-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-12(2)23-10-3-9-16-25(21,22)14-6-4-13(5-7-14)17-15(18)8-11-24(17,19)20/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyUZCZHJSXVPYSTO-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.85
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 22694967) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID22694967
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC NameN-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-12(2)23-10-3-9-16-25(21,22)14-6-4-13(5-7-14)17-15(18)8-11-24(17,19)20/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyUZCZHJSXVPYSTO-UHFFFAOYSA-N
XLogP0.85
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(diethylamino)propyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343407
N-[(2R)-2-pyrrolidin-1-ylpropyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343400
N-(3-imidazol-1-ylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694453
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695251
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
N-(2,5-dimethylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694978
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695234
N-[[(2R)-oxolan-2-yl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42271699
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 21005304
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342481

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 22694967) is N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CC(C)OCCCNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is UZCZHJSXVPYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-12(2)23-10-3-9-16-25(21,22)14-6-4-13(5-7-14)17-15(18)8-11-24(17,19)20/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 22694967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).