N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

C20H26N2O5S2 — CID 39776506

IUPACN-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H26N2O5S2/c1-4-27-19-11-10-17(22-12-5-6-13-28(22,23)24)14-20(19)29(25,26)21-18-9-7-8-15(2)16(18)3/h7-11,14,21H,4-6,12-13H2,1-3H3
InChIKeyYCLFCEAMTPCRFD-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.43
Rot. Bonds6

About N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide

N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (PubChem CID 39776506) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
PubChem CID39776506
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H26N2O5S2/c1-4-27-19-11-10-17(22-12-5-6-13-28(22,23)24)14-20(19)29(25,26)21-18-9-7-8-15(2)16(18)3/h7-11,14,21H,4-6,12-13H2,1-3H3
InChIKeyYCLFCEAMTPCRFD-UHFFFAOYSA-N
XLogP3.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.43
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
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
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 7482750
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
CID 30375036
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide (CID 39776506) is N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
The InChIKey is YCLFCEAMTPCRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-4-27-19-11-10-17(22-12-5-6-13-28(22,23)24)14-20(19)29(25,26)21-18-9-7-8-15(2)16(18)3/h7-11,14,21H,4-6,12-13H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide?
N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(1,1-dioxothiazinan-2-yl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 39776506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).