3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide

C18H20N2O5S3 — CID 24536263

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H20N2O5S3/c1-26-16-6-3-5-14(11-16)19-18(21)13-4-2-7-17(10-13)28(24,25)20-15-8-9-27(22,23)12-15/h2-7,10-11,15,20H,8-9,12H2,1H3,(H,19,21)
InChIKeyUKGOQGYJUYNEHW-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.13
Rot. Bonds6

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 24536263) has the molecular formula C18H20N2O5S3 and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID24536263
Molecular FormulaC18H20N2O5S3
Molecular Weight440.57 g/mol
Exact Mass440.05
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H20N2O5S3/c1-26-16-6-3-5-14(11-16)19-18(21)13-4-2-7-17(10-13)28(24,25)20-15-8-9-27(22,23)12-15/h2-7,10-11,15,20H,8-9,12H2,1H3,(H,19,21)
InChIKeyUKGOQGYJUYNEHW-UHFFFAOYSA-N
XLogP2.13
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
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
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 24564536
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide (CID 24536263) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is UKGOQGYJUYNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S3/c1-26-16-6-3-5-14(11-16)19-18(21)13-4-2-7-17(10-13)28(24,25)20-15-8-9-27(22,23)12-15/h2-7,10-11,15,20H,8-9,12H2,1H3,(H,19,21).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 24536263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).