N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide

C15H12F2N2O5S — CID 8841631

IUPACN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C15H12F2N2O5S/c1-9(20)18-10-2-5-12(6-3-10)25(21,22)19-11-4-7-13-14(8-11)24-15(16,17)23-13/h2-8,19H,1H3,(H,18,20)
InChIKeyOTKNYKSIZIAMSZ-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide

N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 8841631) has the molecular formula C15H12F2N2O5S and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID8841631
Molecular FormulaC15H12F2N2O5S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC NameN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C15H12F2N2O5S/c1-9(20)18-10-2-5-12(6-3-10)25(21,22)19-11-4-7-13-14(8-11)24-15(16,17)23-13/h2-8,19H,1H3,(H,18,20)
InChIKeyOTKNYKSIZIAMSZ-UHFFFAOYSA-N
XLogP2.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 8841643
methyl 2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenoxy]acetate
CID 47062781
2-chloro-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CID 25331541
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfonylbenzamide
CID 26954321
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfonylpropanamide
CID 51080513

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide (CID 8841631) is N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1.
What is the InChIKey of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is OTKNYKSIZIAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5S/c1-9(20)18-10-2-5-12(6-3-10)25(21,22)19-11-4-7-13-14(8-11)24-15(16,17)23-13/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8841631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).