N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C17H20N2O4S2 — CID 7483043

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-7-8-14(2)17(11-13)25(22,23)18-15-5-3-6-16(12-15)19-9-4-10-24(19,20)21/h3,5-8,11-12,18H,4,9-10H2,1-2H3
InChIKeyQMFXLZJJJLEZNC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.64
Rot. Bonds4

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 7483043) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID7483043
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1
InChIInChI=1S/C17H20N2O4S2/c1-13-7-8-14(2)17(11-13)25(22,23)18-15-5-3-6-16(12-15)19-9-4-10-24(19,20)21/h3,5-8,11-12,18H,4,9-10H2,1-2H3
InChIKeyQMFXLZJJJLEZNC-UHFFFAOYSA-N
XLogP2.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 42414553
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 112503000
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)aniline
CID 110621354
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]cyclopentanesulfonamide
CID 110302255
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]thiophene-2-sulfonamide
CID 112505540
4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 39776296
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 7483043) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QMFXLZJJJLEZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-13-7-8-14(2)17(11-13)25(22,23)18-15-5-3-6-16(12-15)19-9-4-10-24(19,20)21/h3,5-8,11-12,18H,4,9-10H2,1-2H3.
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 7483043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).