N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C15H20N2O5S2 — CID 2960819

IUPACN-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O5S2/c18-15(16-13-6-9-23(19,20)11-13)12-4-3-5-14(10-12)24(21,22)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11H2,(H,16,18)
InChIKeyYTPHNVTZPNSHOT-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.39
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2960819) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2960819
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H20N2O5S2/c18-15(16-13-6-9-23(19,20)11-13)12-4-3-5-14(10-12)24(21,22)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11H2,(H,16,18)
InChIKeyYTPHNVTZPNSHOT-UHFFFAOYSA-N
XLogP0.39
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2960819) is N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YTPHNVTZPNSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c18-15(16-13-6-9-23(19,20)11-13)12-4-3-5-14(10-12)24(21,22)17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11H2,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).