3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride

C14H12ClF4NO6S2 — CID 158036686

IUPAC3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride
SMILESNS(=O)(=O)c1cccc(OC(F)F)c1.O=S(=O)(Cl)c1ccccc1OC(F)F
InChIInChI=1S/C7H5ClF2O3S.C7H7F2NO3S/c8-14(11,12)6-4-2-1-3-5(6)13-7(9)10;8-7(9)13-5-2-1-3-6(4-5)14(10,11)12/h1-4,7H;1-4,7H,(H2,10,11,12)
InChIKeyFHVJKADQUCQXIV-UHFFFAOYSA-N
MW465.83 g/mol
LogP3.15
Rot. Bonds6

About 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride

3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 158036686) has the molecular formula C14H12ClF4NO6S2 and a molecular weight of 465.83 g/mol. Its IUPAC name is 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID158036686
Molecular FormulaC14H12ClF4NO6S2
Molecular Weight465.83 g/mol
Exact Mass464.97
IUPAC Name3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride
SMILESNS(=O)(=O)c1cccc(OC(F)F)c1.O=S(=O)(Cl)c1ccccc1OC(F)F
InChIInChI=1S/C7H5ClF2O3S.C7H7F2NO3S/c8-14(11,12)6-4-2-1-3-5(6)13-7(9)10;8-7(9)13-5-2-1-3-6(4-5)14(10,11)12/h1-4,7H;1-4,7H,(H2,10,11,12)
InChIKeyFHVJKADQUCQXIV-UHFFFAOYSA-N
XLogP3.15
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-2-(difluoromethoxy)benzene;1-(benzenesulfonyl)-3-(difluoromethoxy)benzene;1-(benzenesulfonyl)-4-(difluoromethoxy)benzene
CID 159310106
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
CID 49457332
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997860
1-(difluoromethoxy)-3-(sulfamoylamino)benzene
CID 112573446
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131456111
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 126731002
3-methoxybenzenesulfonamide
CID 14763060
3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
CID 126715220
CID 68601834
CID 68601834
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride (CID 158036686) is 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride is NS(=O)(=O)c1cccc(OC(F)F)c1.O=S(=O)(Cl)c1ccccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is FHVJKADQUCQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S.C7H7F2NO3S/c8-14(11,12)6-4-2-1-3-5(6)13-7(9)10;8-7(9)13-5-2-1-3-6(4-5)14(10,11)12/h1-4,7H;1-4,7H,(H2,10,11,12).
What are the key properties of 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride?
3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 465.83 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)benzenesulfonamide;2-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 158036686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).