N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide

C11H13FN2O5S2 — CID 63297241

IUPACN-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O5S2/c12-9-5-8(21(13,18)19)1-2-10(9)14-11(15)7-3-4-20(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H2,13,18,19)
InChIKeyNNEZCQCZJBHTSV-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.15
Rot. Bonds3

About N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide

N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 63297241) has the molecular formula C11H13FN2O5S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID63297241
Molecular FormulaC11H13FN2O5S2
Molecular Weight336.37 g/mol
Exact Mass336.02
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O5S2/c12-9-5-8(21(13,18)19)1-2-10(9)14-11(15)7-3-4-20(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H2,13,18,19)
InChIKeyNNEZCQCZJBHTSV-UHFFFAOYSA-N
XLogP-0.15
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-amino-4-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 64913377
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 64913582
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide (CID 63297241) is N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCS(=O)(=O)C2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is NNEZCQCZJBHTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S2/c12-9-5-8(21(13,18)19)1-2-10(9)14-11(15)7-3-4-20(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H2,13,18,19).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 63297241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).