N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide

C14H21NO4S2 — CID 51101191

IUPACN-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21NO4S2/c1-2-15(12-13-6-4-3-5-7-13)21(18,19)14-8-10-20(16,17)11-9-14/h3-7,14H,2,8-12H2,1H3
InChIKeyBVOXKADPBGHEOA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.42
Rot. Bonds5

About N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide

N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide (PubChem CID 51101191) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide
PubChem CID51101191
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC NameN-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21NO4S2/c1-2-15(12-13-6-4-3-5-7-13)21(18,19)14-8-10-20(16,17)11-9-14/h3-7,14H,2,8-12H2,1H3
InChIKeyBVOXKADPBGHEOA-UHFFFAOYSA-N
XLogP1.42
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide (CID 51101191) is N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide?
The InChIKey is BVOXKADPBGHEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-2-15(12-13-6-4-3-5-7-13)21(18,19)14-8-10-20(16,17)11-9-14/h3-7,14H,2,8-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide?
N-benzyl-N-ethyl-1,1-dioxothiane-4-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 1.42, 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-dioxothiane-4-sulfonamide is sourced from PubChem (CID 51101191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).