[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide

C9H6F6NO2S- — CID 152764715

IUPAC[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide
SMILES[NH-]S(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6NO2S/c10-8(11,12)6-1-5(4-19(16,17)18)2-7(3-6)9(13,14)15/h1-3H,4H2,(H-,16,17,18)/q-1
InChIKeyZPIOQZXXGCQZGX-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.61
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide

[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide (PubChem CID 152764715) has the molecular formula C9H6F6NO2S- and a molecular weight of 306.21 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide
PubChem CID152764715
Molecular FormulaC9H6F6NO2S-
Molecular Weight306.21 g/mol
Exact Mass306.00
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide
SMILES[NH-]S(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6NO2S/c10-8(11,12)6-1-5(4-19(16,17)18)2-7(3-6)9(13,14)15/h1-3H,4H2,(H-,16,17,18)/q-1
InChIKeyZPIOQZXXGCQZGX-UHFFFAOYSA-N
XLogP3.61
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
CID 115351227
1-methyl-3-(trifluoromethyl)-5-(trifluoromethylsulfonylmethyl)benzene
CID 158352048
lithium [3,5-bis(trifluoromethyl)phenyl]azanide
CID 132500492
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 24773254
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 3862785
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
1-prop-2-ynyl-3,5-bis(trifluoromethyl)benzene
CID 91263123

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide (CID 152764715) is [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide is [NH-]S(=O)(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide?
The InChIKey is ZPIOQZXXGCQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6NO2S/c10-8(11,12)6-1-5(4-19(16,17)18)2-7(3-6)9(13,14)15/h1-3H,4H2,(H-,16,17,18)/q-1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide?
[3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide has a molecular weight of 306.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]methylsulfonylazanide is sourced from PubChem (CID 152764715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).