4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide

C19H24N2O5S2 — CID 39776296

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(C)c(N3CCCCS3(=O)=O)cc2C)c1
InChIInChI=1S/C19H24N2O5S2/c1-14-12-19(28(24,25)20-16-7-6-8-17(13-16)26-3)15(2)11-18(14)21-9-4-5-10-27(21,22)23/h6-8,11-13,20H,4-5,9-10H2,1-3H3
InChIKeyRCFQXRAEPGQIJL-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.04
Rot. Bonds5

About 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 39776296) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID39776296
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(C)c(N3CCCCS3(=O)=O)cc2C)c1
InChIInChI=1S/C19H24N2O5S2/c1-14-12-19(28(24,25)20-16-7-6-8-17(13-16)26-3)15(2)11-18(14)21-9-4-5-10-27(21,22)23/h6-8,11-13,20H,4-5,9-10H2,1-3H3
InChIKeyRCFQXRAEPGQIJL-UHFFFAOYSA-N
XLogP3.04
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-2,5-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 39776373
N-(4-acetylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39776332
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 43955540
N-cycloheptyl-4-(1,1-dioxothiazinan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 39776210
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
4-(1,1-dioxothiazinan-2-yl)-N-[(2-fluorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 39776073
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-4-fluorobenzenesulfonamide
CID 112505593
4-(1,1-dioxothiazinan-2-yl)-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 39776143
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-sulfonamide
CID 112505840

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 39776296) is 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1cccc(NS(=O)(=O)c2cc(C)c(N3CCCCS3(=O)=O)cc2C)c1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is RCFQXRAEPGQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-14-12-19(28(24,25)20-16-7-6-8-17(13-16)26-3)15(2)11-18(14)21-9-4-5-10-27(21,22)23/h6-8,11-13,20H,4-5,9-10H2,1-3H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 39776296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).