N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide

C15H11ClFNO5S — CID 5020246

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)OCO2
InChIInChI=1S/C15H11ClFNO5S/c1-8(19)10-5-14-15(23-7-22-14)6-13(10)18-24(20,21)9-2-3-12(17)11(16)4-9/h2-6,18H,7H2,1H3
InChIKeyYUXCMRGLJRXVRX-UHFFFAOYSA-N
MW371.77 g/mol
LogP3.21
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 5020246) has the molecular formula C15H11ClFNO5S and a molecular weight of 371.77 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID5020246
Molecular FormulaC15H11ClFNO5S
Molecular Weight371.77 g/mol
Exact Mass371.00
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)OCO2
InChIInChI=1S/C15H11ClFNO5S/c1-8(19)10-5-14-15(23-7-22-14)6-13(10)18-24(20,21)9-2-3-12(17)11(16)4-9/h2-6,18H,7H2,1H3
InChIKeyYUXCMRGLJRXVRX-UHFFFAOYSA-N
XLogP3.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3583124
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-bromobenzenesulfonamide
CID 1448349
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1448342
6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 17456779
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927009
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55340947
N-(6-acetyl-1,3-benzodioxol-5-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
CID 5049025
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 1448355
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide (CID 5020246) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide is CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)c(Cl)c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is YUXCMRGLJRXVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO5S/c1-8(19)10-5-14-15(23-7-22-14)6-13(10)18-24(20,21)9-2-3-12(17)11(16)4-9/h2-6,18H,7H2,1H3.
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 371.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5020246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).