N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide

C17H20N2O5S2 — CID 7482685

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H20N2O5S2/c1-13-4-9-16(24-2)17(12-13)26(22,23)18-14-5-7-15(8-6-14)19-10-3-11-25(19,20)21/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyKMYFRTNVCFOHOF-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.34
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 7482685) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID7482685
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H20N2O5S2/c1-13-4-9-16(24-2)17(12-13)26(22,23)18-14-5-7-15(8-6-14)19-10-3-11-25(19,20)21/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyKMYFRTNVCFOHOF-UHFFFAOYSA-N
XLogP2.34
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 42414553
N-[4-chloro-3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 130338781
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43955516
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 20962424
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 7482750

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide (CID 7482685) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is KMYFRTNVCFOHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-13-4-9-16(24-2)17(12-13)26(22,23)18-14-5-7-15(8-6-14)19-10-3-11-25(19,20)21/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 7482685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).