7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide

C15H10ClF2NO5S — CID 55368530

IUPAC7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClF2NO5S/c16-9-5-8(6-11-13(9)24-7-23-11)14(20)19-10-3-1-2-4-12(10)25(21,22)15(17)18/h1-6,15H,7H2,(H,19,20)
InChIKeyQUSBYIMIZHFYFM-UHFFFAOYSA-N
MW389.76 g/mol
LogP3.32
Rot. Bonds4

About 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 55368530) has the molecular formula C15H10ClF2NO5S and a molecular weight of 389.76 g/mol. Its IUPAC name is 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID55368530
Molecular FormulaC15H10ClF2NO5S
Molecular Weight389.76 g/mol
Exact Mass388.99
IUPAC Name7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H10ClF2NO5S/c16-9-5-8(6-11-13(9)24-7-23-11)14(20)19-10-3-1-2-4-12(10)25(21,22)15(17)18/h1-6,15H,7H2,(H,19,20)
InChIKeyQUSBYIMIZHFYFM-UHFFFAOYSA-N
XLogP3.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240
7-chloro-N-(2-fluoro-4-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26700464
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
6-chloro-N-(2-chlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 29195478
7-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 29265060
7-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 43063185
N-(3-tert-butyl-1,2-oxazol-5-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 9467437
7-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115884380
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
CID 9480093
7-chloro-N-(1H-pyrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 61393952

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 55368530) is 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is QUSBYIMIZHFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO5S/c16-9-5-8(6-11-13(9)24-7-23-11)14(20)19-10-3-1-2-4-12(10)25(21,22)15(17)18/h1-6,15H,7H2,(H,19,20).
What are the key properties of 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 389.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(difluoromethylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 55368530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).