3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide

C9H18ClNO4S2 — CID 43654211

IUPAC3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO4S2/c1-2-11(17(14,15)6-3-5-10)9-4-7-16(12,13)8-9/h9H,2-8H2,1H3
InChIKeyUTTDIQDVCOQUAB-UHFFFAOYSA-N
MW303.83 g/mol
LogP0.45
Rot. Bonds6

About 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide (PubChem CID 43654211) has the molecular formula C9H18ClNO4S2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide
PubChem CID43654211
Molecular FormulaC9H18ClNO4S2
Molecular Weight303.83 g/mol
Exact Mass303.04
IUPAC Name3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO4S2/c1-2-11(17(14,15)6-3-5-10)9-4-7-16(12,13)8-9/h9H,2-8H2,1H3
InChIKeyUTTDIQDVCOQUAB-UHFFFAOYSA-N
XLogP0.45
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide (CID 43654211) is 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide?
The InChIKey is UTTDIQDVCOQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO4S2/c1-2-11(17(14,15)6-3-5-10)9-4-7-16(12,13)8-9/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide?
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide has a molecular weight of 303.83 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 43654211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).