N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide

C13H19NO4S2 — CID 18593878

IUPACN-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19NO4S2/c1-2-14(10-12-6-4-3-5-7-12)20(17,18)13-8-9-19(15,16)11-13/h3-7,13H,2,8-11H2,1H3
InChIKeyMKJAKCPIHYIIEE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.03
Rot. Bonds5

About N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide

N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 18593878) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID18593878
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC NameN-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19NO4S2/c1-2-14(10-12-6-4-3-5-7-12)20(17,18)13-8-9-19(15,16)11-13/h3-7,13H,2,8-11H2,1H3
InChIKeyMKJAKCPIHYIIEE-UHFFFAOYSA-N
XLogP1.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 70755777
N-methyl-1,1-dioxo-N-phenylthiolane-3-sulfonamide
CID 16957631
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
N-benzyl-3-(1,1-dioxothiolan-3-yl)sulfonyl-N-propan-2-ylbenzenesulfonamide
CID 42655533
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
2-[(1,1-dioxothiolan-3-yl)sulfonyl-methylamino]benzoic acid
CID 43172795
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
(3R)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540591
(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540593
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
CID 167908879

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide (CID 18593878) is N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is MKJAKCPIHYIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-2-14(10-12-6-4-3-5-7-12)20(17,18)13-8-9-19(15,16)11-13/h3-7,13H,2,8-11H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide?
N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 317.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 18593878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).