2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C16H16N2O5S2 — CID 20995965

IUPAC2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O5S2/c1-12-7-8-14(18-16(19)9-10-24(18,20)21)11-15(12)25(22,23)17-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyZOVWSMMMXCAGMP-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 20995965) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID20995965
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O5S2/c1-12-7-8-14(18-16(19)9-10-24(18,20)21)11-15(12)25(22,23)17-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyZOVWSMMMXCAGMP-UHFFFAOYSA-N
XLogP1.86
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
CID 5282250
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
CID 34025
Disodium 5-acetamido-2-(2-(4-isothiocyanato-2-sulphonatophenyl)vinyl)benzenesulphonate
CID 5702774
N-(4-(4-Toluidinosulfonyl)phenyl)acetamide
CID 822744
Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2)
CID 170953
5-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-2-isothiocyanatobenzenesulfonate
CID 134612071
3-phenyl-N-(3-sulfamoylphenyl)propanamide
CID 2812930
2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2972294
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 3501060
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
CID 4805360
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 20995965) is 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is ZOVWSMMMXCAGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-12-7-8-14(18-16(19)9-10-24(18,20)21)11-15(12)25(22,23)17-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 20995965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).