N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide

C16H8F12N2O4S2 — CID 172578620

IUPACN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
SMILESNN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F12N2O4S2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)35(31,32)30(29)36(33,34)12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,29H2
InChIKeySMGAIOOHDYYIDT-UHFFFAOYSA-N
MW584.36 g/mol
LogP5.02
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide

N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide (PubChem CID 172578620) has the molecular formula C16H8F12N2O4S2 and a molecular weight of 584.36 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
PubChem CID172578620
Molecular FormulaC16H8F12N2O4S2
Molecular Weight584.36 g/mol
Exact Mass583.97
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
SMILESNN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H8F12N2O4S2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)35(31,32)30(29)36(33,34)12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,29H2
InChIKeySMGAIOOHDYYIDT-UHFFFAOYSA-N
XLogP5.02
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide (CID 172578620) is N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide is NN(S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide?
The InChIKey is SMGAIOOHDYYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F12N2O4S2/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)35(31,32)30(29)36(33,34)12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6H,29H2.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide?
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide has a molecular weight of 584.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide is sourced from PubChem (CID 172578620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).