5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide

C19H24N2O5S2 — CID 39776497

IUPAC5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-26-18-11-10-17(21-12-4-5-13-27(21,22)23)14-19(18)28(24,25)20-16-8-6-15(2)7-9-16/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyKOMYXMMLIPFVCN-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.12
Rot. Bonds6

About 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide

5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 39776497) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID39776497
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2O5S2/c1-3-26-18-11-10-17(21-12-4-5-13-27(21,22)23)14-19(18)28(24,25)20-16-8-6-15(2)7-9-16/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyKOMYXMMLIPFVCN-UHFFFAOYSA-N
XLogP3.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776514
N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776506
N-butan-2-yl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 46307101
N-cyclohexyl-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776404
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 39776407
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide (CID 39776497) is 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide is CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is KOMYXMMLIPFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-3-26-18-11-10-17(21-12-4-5-13-27(21,22)23)14-19(18)28(24,25)20-16-8-6-15(2)7-9-16/h6-11,14,20H,3-5,12-13H2,1-2H3.
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide?
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 39776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).