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

C14H10F2N2O5S — CID 26954340

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C14H10F2N2O5S/c15-14(16)22-11-6-3-9(7-12(11)23-14)18-13(19)8-1-4-10(5-2-8)24(17,20)21/h1-7H,(H,18,19)(H2,17,20,21)
InChIKeyYQNWKRHRMTVKNM-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.91
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide (PubChem CID 26954340) has the molecular formula C14H10F2N2O5S and a molecular weight of 356.31 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
PubChem CID26954340
Molecular FormulaC14H10F2N2O5S
Molecular Weight356.31 g/mol
Exact Mass356.03
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C14H10F2N2O5S/c15-14(16)22-11-6-3-9(7-12(11)23-14)18-13(19)8-1-4-10(5-2-8)24(17,20)21/h1-7H,(H,18,19)(H2,17,20,21)
InChIKeyYQNWKRHRMTVKNM-UHFFFAOYSA-N
XLogP1.91
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
CID 47013774
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24625442
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
CID 24532820
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide (CID 26954340) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide is NS(=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-sulfamoylbenzamide?
The InChIKey is YQNWKRHRMTVKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O5S/c15-14(16)22-11-6-3-9(7-12(11)23-14)18-13(19)8-1-4-10(5-2-8)24(17,20)21/h1-7H,(H,18,19)(H2,17,20,21).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide has a molecular weight of 356.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 26954340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).