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

C14H9F3N2O5S — CID 47013774

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1
InChIInChI=1S/C14H9F3N2O5S/c15-10-3-2-8(25(18,21)22)6-9(10)13(20)19-7-1-4-11-12(5-7)24-14(16,17)23-11/h1-6H,(H,19,20)(H2,18,21,22)
InChIKeyQBEAHOBXGUXZBJ-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.05
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 47013774) has the molecular formula C14H9F3N2O5S and a molecular weight of 374.30 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID47013774
Molecular FormulaC14H9F3N2O5S
Molecular Weight374.30 g/mol
Exact Mass374.02
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1
InChIInChI=1S/C14H9F3N2O5S/c15-10-3-2-8(25(18,21)22)6-9(10)13(20)19-7-1-4-11-12(5-7)24-14(16,17)23-11/h1-6H,(H,19,20)(H2,18,21,22)
InChIKeyQBEAHOBXGUXZBJ-UHFFFAOYSA-N
XLogP2.05
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512472
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
6-amino-2,2-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 168943128
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
CID 124928506
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-nitrobenzamide
CID 8928445
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-(dimethylsulfamoyl)benzamide
CID 55727742

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide (CID 47013774) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is QBEAHOBXGUXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O5S/c15-10-3-2-8(25(18,21)22)6-9(10)13(20)19-7-1-4-11-12(5-7)24-14(16,17)23-11/h1-6H,(H,19,20)(H2,18,21,22).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 374.30 g/mol, XLogP of 2.05, 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)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 47013774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).