N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide

C16H25NO4S2 — CID 42912908

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO4S2/c1-6-17(15-7-8-22(18,19)10-15)23(20,21)16-13(4)11(2)9-12(3)14(16)5/h9,15H,6-8,10H2,1-5H3
InChIKeyOYBQEFVWLDEHKS-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.12
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 42912908) has the molecular formula C16H25NO4S2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID42912908
Molecular FormulaC16H25NO4S2
Molecular Weight359.51 g/mol
Exact Mass359.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO4S2/c1-6-17(15-7-8-22(18,19)10-15)23(20,21)16-13(4)11(2)9-12(3)14(16)5/h9,15H,6-8,10H2,1-5H3
InChIKeyOYBQEFVWLDEHKS-UHFFFAOYSA-N
XLogP2.12
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2,3,5,6-tetramethyl-N-prop-2-ynylbenzenesulfonamide
CID 60542288
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7999416
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 94186742
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
4-amino-2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 61107982
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 18170868
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 46557060
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 60745540

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide (CID 42912908) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is OYBQEFVWLDEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S2/c1-6-17(15-7-8-22(18,19)10-15)23(20,21)16-13(4)11(2)9-12(3)14(16)5/h9,15H,6-8,10H2,1-5H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 359.51 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 42912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).