N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

C22H30N2O5S2 — CID 39776514

IUPACN-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2O5S2/c1-4-17-10-9-11-18(5-2)22(17)23-31(27,28)21-16-19(12-13-20(21)29-6-3)24-14-7-8-15-30(24,25)26/h9-13,16,23H,4-8,14-15H2,1-3H3
InChIKeyWLRZARQMKGHMMK-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.94
Rot. Bonds8

About N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (PubChem CID 39776514) has the molecular formula C22H30N2O5S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
PubChem CID39776514
Molecular FormulaC22H30N2O5S2
Molecular Weight466.63 g/mol
Exact Mass466.16
IUPAC NameN-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2O5S2/c1-4-17-10-9-11-18(5-2)22(17)23-31(27,28)21-16-19(12-13-20(21)29-6-3)24-14-7-8-15-30(24,25)26/h9-13,16,23H,4-8,14-15H2,1-3H3
InChIKeyWLRZARQMKGHMMK-UHFFFAOYSA-N
XLogP3.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
CID 39776506
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
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
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 39776409
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005717
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
N-[3-[[2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 21005877
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 7482685

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (CID 39776514) is N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The InChIKey is WLRZARQMKGHMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S2/c1-4-17-10-9-11-18(5-2)22(17)23-31(27,28)21-16-19(12-13-20(21)29-6-3)24-14-7-8-15-30(24,25)26/h9-13,16,23H,4-8,14-15H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide has a molecular weight of 466.63 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 39776514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).