3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide

C15H23N3O5S2 — CID 109063989

IUPAC3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23N3O5S2/c1-18(2)8-7-16-25(22,23)14-5-3-4-12(10-14)15(19)17-13-6-9-24(20,21)11-13/h3-5,10,13,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyXKSAXAYFHDOZBK-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.56
Rot. Bonds7

About 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide

3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 109063989) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID109063989
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC Name3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23N3O5S2/c1-18(2)8-7-16-25(22,23)14-5-3-4-12(10-14)15(19)17-13-6-9-24(20,21)11-13/h3-5,10,13,16H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyXKSAXAYFHDOZBK-UHFFFAOYSA-N
XLogP-0.56
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 74243722
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110355698
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide (CID 109063989) is 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide is CN(C)CCNS(=O)(=O)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is XKSAXAYFHDOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-18(2)8-7-16-25(22,23)14-5-3-4-12(10-14)15(19)17-13-6-9-24(20,21)11-13/h3-5,10,13,16H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide?
3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 389.50 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 109063989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).