N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide

C10H6F7NO2S — CID 155672633

IUPACN-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
SMILESO=S(=O)(N=CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H6F7NO2S/c11-8(9(12,13)14,10(15,16)17)6-18-21(19,20)7-4-2-1-3-5-7/h1-6H
InChIKeyYFRNZNBNJJBTOP-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.28
Rot. Bonds3

About N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide

N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide (PubChem CID 155672633) has the molecular formula C10H6F7NO2S and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
PubChem CID155672633
Molecular FormulaC10H6F7NO2S
Molecular Weight337.22 g/mol
Exact Mass337.00
IUPAC NameN-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
SMILESO=S(=O)(N=CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H6F7NO2S/c11-8(9(12,13)14,10(15,16)17)6-18-21(19,20)7-4-2-1-3-5-7/h1-6H
InChIKeyYFRNZNBNJJBTOP-UHFFFAOYSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide?
The IUPAC name of N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide (CID 155672633) is N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide.
What is the SMILES notation for N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide?
The canonical SMILES for N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide is O=S(=O)(N=CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide?
The InChIKey is YFRNZNBNJJBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7NO2S/c11-8(9(12,13)14,10(15,16)17)6-18-21(19,20)7-4-2-1-3-5-7/h1-6H.
What are the key properties of N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide?
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide has a molecular weight of 337.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide is sourced from PubChem (CID 155672633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).