butylsulfonyl(trifluoromethylsulfonyl)azanide

C5H9F3NO4S2- — CID 59046699

IUPACbutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyKBPFDAPJAJZJKQ-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.34
Rot. Bonds5

About butylsulfonyl(trifluoromethylsulfonyl)azanide

butylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59046699) has the molecular formula C5H9F3NO4S2- and a molecular weight of 268.26 g/mol. Its IUPAC name is butylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namebutylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59046699
Molecular FormulaC5H9F3NO4S2-
Molecular Weight268.26 g/mol
Exact Mass267.99
IUPAC Namebutylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13)5(6,7)8/h2-4H2,1H3/q-1
InChIKeyKBPFDAPJAJZJKQ-UHFFFAOYSA-N
XLogP1.34
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of butylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59046699) is butylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for butylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for butylsulfonyl(trifluoromethylsulfonyl)azanide is CCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of butylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is KBPFDAPJAJZJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO4S2/c1-2-3-4-14(10,11)9-15(12,13)5(6,7)8/h2-4H2,1H3/q-1.
What are the key properties of butylsulfonyl(trifluoromethylsulfonyl)azanide?
butylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 268.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).