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

C16H22N2O5S2 — CID 109063223

IUPACN-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-13-5-1-2-6-13)12-4-3-7-15(10-12)25(22,23)18-14-8-9-24(20,21)11-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,17,19)
InChIKeyIUVOVAHCMYXVTB-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.82
Rot. Bonds5

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

N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 109063223) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID109063223
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-13-5-1-2-6-13)12-4-3-7-15(10-12)25(22,23)18-14-8-9-24(20,21)11-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,17,19)
InChIKeyIUVOVAHCMYXVTB-UHFFFAOYSA-N
XLogP0.82
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
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
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109063989
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 109063223) is N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is O=C(NC1CCCC1)c1cccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is IUVOVAHCMYXVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c19-16(17-13-5-1-2-6-13)12-4-3-7-15(10-12)25(22,23)18-14-8-9-24(20,21)11-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,17,19).
What are the key properties of N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 109063223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).