1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide

C11H14N2O5S2 — CID 60674860

IUPAC1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H14N2O5S2/c12-20(17,18)10-3-1-9(2-4-10)13-11(14)8-5-6-19(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)(H2,12,17,18)
InChIKeyFKMDHPIHEPIQLN-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.29
Rot. Bonds3

About 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide

1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide (PubChem CID 60674860) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
PubChem CID60674860
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H14N2O5S2/c12-20(17,18)10-3-1-9(2-4-10)13-11(14)8-5-6-19(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)(H2,12,17,18)
InChIKeyFKMDHPIHEPIQLN-UHFFFAOYSA-N
XLogP-0.29
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 63297241
(3R)-1,1-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)thiolane-3-carboxamide
CID 9073816
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide (CID 60674860) is 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide?
The InChIKey is FKMDHPIHEPIQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c12-20(17,18)10-3-1-9(2-4-10)13-11(14)8-5-6-19(15,16)7-8/h1-4,8H,5-7H2,(H,13,14)(H2,12,17,18).
What are the key properties of 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide?
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide is sourced from PubChem (CID 60674860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).