3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C18H16FN3O5S3 — CID 24564536

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H16FN3O5S3/c19-12-4-5-15-16(9-12)28-18(20-15)21-17(23)11-2-1-3-14(8-11)30(26,27)22-13-6-7-29(24,25)10-13/h1-5,8-9,13,22H,6-7,10H2,(H,20,21,23)
InChIKeyGXEMJPBLNHAYTB-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.15
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 24564536) has the molecular formula C18H16FN3O5S3 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID24564536
Molecular FormulaC18H16FN3O5S3
Molecular Weight469.54 g/mol
Exact Mass469.02
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H16FN3O5S3/c19-12-4-5-15-16(9-12)28-18(20-15)21-17(23)11-2-1-3-14(8-11)30(26,27)22-13-6-7-29(24,25)10-13/h1-5,8-9,13,22H,6-7,10H2,(H,20,21,23)
InChIKeyGXEMJPBLNHAYTB-UHFFFAOYSA-N
XLogP2.15
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 2483488
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 24564536) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GXEMJPBLNHAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S3/c19-12-4-5-15-16(9-12)28-18(20-15)21-17(23)11-2-1-3-14(8-11)30(26,27)22-13-6-7-29(24,25)10-13/h1-5,8-9,13,22H,6-7,10H2,(H,20,21,23).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 24564536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).