1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide

C13H10F3NO3S2 — CID 14359342

IUPAC1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide
SMILESO=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO3S2/c14-13(15,16)22(19,20)17-21(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyMJDNWKXPTWVVAH-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.42
Rot. Bonds3

About 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide

1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide (PubChem CID 14359342) has the molecular formula C13H10F3NO3S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide
PubChem CID14359342
Molecular FormulaC13H10F3NO3S2
Molecular Weight349.36 g/mol
Exact Mass349.01
IUPAC Name1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide
SMILESO=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO3S2/c14-13(15,16)22(19,20)17-21(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyMJDNWKXPTWVVAH-UHFFFAOYSA-N
XLogP3.42
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide (CID 14359342) is 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide is O=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide?
The InChIKey is MJDNWKXPTWVVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S2/c14-13(15,16)22(19,20)17-21(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide?
1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide is sourced from PubChem (CID 14359342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).