3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide

C9H7F3N2O2S — CID 175381972

IUPAC3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2(C(F)(F)F)C=N2)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)8(5-14-8)6-2-1-3-7(4-6)17(13,15)16/h1-5H,(H2,13,15,16)
InChIKeyXCMRVGXAOCOVPF-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.18
Rot. Bonds2

About 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide

3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide (PubChem CID 175381972) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide
PubChem CID175381972
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2(C(F)(F)F)C=N2)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)8(5-14-8)6-2-1-3-7(4-6)17(13,15)16/h1-5H,(H2,13,15,16)
InChIKeyXCMRVGXAOCOVPF-UHFFFAOYSA-N
XLogP1.18
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
3-(1-aminocyclopropyl)benzenesulfonamide
CID 70895936
3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
CID 18461628
CID 70262336
CID 70262336
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
3-iodobenzenesulfonamide
CID 11219806
3-methylbenzenesulfonamide
CID 69347063
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide?
The IUPAC name of 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide (CID 175381972) is 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(C2(C(F)(F)F)C=N2)c1.
What is the InChIKey of 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide?
The InChIKey is XCMRVGXAOCOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-9(11,12)8(5-14-8)6-2-1-3-7(4-6)17(13,15)16/h1-5H,(H2,13,15,16).
What are the key properties of 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide?
3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide has a molecular weight of 264.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide is sourced from PubChem (CID 175381972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).