N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

C17H16F2N2O5S — CID 7619259

IUPACN-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1c(F)cccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16F2N2O5S/c18-13-2-1-3-14(19)12(13)9-21-27(23,24)7-6-20-17(22)11-4-5-15-16(8-11)26-10-25-15/h1-5,8,21H,6-7,9-10H2,(H,20,22)
InChIKeyFLQXAJHXZYDBEX-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.54
Rot. Bonds7

About N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7619259) has the molecular formula C17H16F2N2O5S and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7619259
Molecular FormulaC17H16F2N2O5S
Molecular Weight398.39 g/mol
Exact Mass398.07
IUPAC NameN-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1c(F)cccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16F2N2O5S/c18-13-2-1-3-14(19)12(13)9-21-27(23,24)7-6-20-17(22)11-4-5-15-16(8-11)26-10-25-15/h1-5,8,21H,6-7,9-10H2,(H,20,22)
InChIKeyFLQXAJHXZYDBEX-UHFFFAOYSA-N
XLogP1.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 771880
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55491880
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
3-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345852

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 7619259) is N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCS(=O)(=O)NCc1c(F)cccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FLQXAJHXZYDBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5S/c18-13-2-1-3-14(19)12(13)9-21-27(23,24)7-6-20-17(22)11-4-5-15-16(8-11)26-10-25-15/h1-5,8,21H,6-7,9-10H2,(H,20,22).
What are the key properties of N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-difluorophenyl)methylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7619259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).