[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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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).