1,1-dioxo-N-phenylthiolane-3-sulfonamide

C10H13NO4S2 — CID 4221578

IUPAC1,1-dioxo-N-phenylthiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C10H13NO4S2/c12-16(13)7-6-10(8-16)17(14,15)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLEZHBTCARCVQFQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.62
Rot. Bonds3

About 1,1-dioxo-N-phenylthiolane-3-sulfonamide

1,1-dioxo-N-phenylthiolane-3-sulfonamide (PubChem CID 4221578) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1,1-dioxo-N-phenylthiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-phenylthiolane-3-sulfonamide
PubChem CID4221578
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name1,1-dioxo-N-phenylthiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C10H13NO4S2/c12-16(13)7-6-10(8-16)17(14,15)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLEZHBTCARCVQFQ-UHFFFAOYSA-N
XLogP0.62
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-phenylthiolane-3-sulfonamide (CID 4221578) is 1,1-dioxo-N-phenylthiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-phenylthiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccccc2)C1.
What is the InChIKey of 1,1-dioxo-N-phenylthiolane-3-sulfonamide?
The InChIKey is LEZHBTCARCVQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-16(13)7-6-10(8-16)17(14,15)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 1,1-dioxo-N-phenylthiolane-3-sulfonamide?
1,1-dioxo-N-phenylthiolane-3-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-phenylthiolane-3-sulfonamide is sourced from PubChem (CID 4221578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).