N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide

C17H16F2N2O6S — CID 24625442

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C17H16F2N2O6S/c1-25-9-8-20-28(23,24)13-5-2-11(3-6-13)16(22)21-12-4-7-14-15(10-12)27-17(18,19)26-14/h2-7,10,20H,8-9H2,1H3,(H,21,22)
InChIKeyKKVLTTBBHRUXRY-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.19
Rot. Bonds7

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24625442) has the molecular formula C17H16F2N2O6S and a molecular weight of 414.39 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24625442
Molecular FormulaC17H16F2N2O6S
Molecular Weight414.39 g/mol
Exact Mass414.07
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C17H16F2N2O6S/c1-25-9-8-20-28(23,24)13-5-2-11(3-6-13)16(22)21-12-4-7-14-15(10-12)27-17(18,19)26-14/h2-7,10,20H,8-9H2,1H3,(H,21,22)
InChIKeyKKVLTTBBHRUXRY-UHFFFAOYSA-N
XLogP2.19
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
4-(2-methoxyethylsulfamoyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109059796
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 46467570
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 24625442) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is KKVLTTBBHRUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O6S/c1-25-9-8-20-28(23,24)13-5-2-11(3-6-13)16(22)21-12-4-7-14-15(10-12)27-17(18,19)26-14/h2-7,10,20H,8-9H2,1H3,(H,21,22).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 414.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24625442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).