4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide

C7H6F3NO3S2 — CID 170999351

IUPAC4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S)c(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3NO3S2/c8-7(9,10)14-5-3-4(16(11,12)13)1-2-6(5)15/h1-3,15H,(H2,11,12,13)
InChIKeyFDLGWZPCTWLYPP-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.52
Rot. Bonds2

About 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide

4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170999351) has the molecular formula C7H6F3NO3S2 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID170999351
Molecular FormulaC7H6F3NO3S2
Molecular Weight273.26 g/mol
Exact Mass272.97
IUPAC Name4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S)c(OC(F)(F)F)c1
InChIInChI=1S/C7H6F3NO3S2/c8-7(9,10)14-5-3-4(16(11,12)13)1-2-6(5)15/h1-3,15H,(H2,11,12,13)
InChIKeyFDLGWZPCTWLYPP-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
3-amino-4-sulfanylbenzenesulfonamide
CID 43298928
4-methoxy-2-(trifluoromethoxy)benzenethiol
CID 170998408
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
2-chloro-1-[4-sulfanyl-3-(trifluoromethoxy)phenyl]ethanone
CID 170999427
5-methylsulfonyl-2-(trifluoromethoxy)phenol
CID 168964303
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
3-(aminomethyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 67169343
6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
CID 134630706
CID 118692692
CID 118692692
4-amino-3-bromo-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 131623214

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide (CID 170999351) is 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(S)c(OC(F)(F)F)c1.
What is the InChIKey of 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FDLGWZPCTWLYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S2/c8-7(9,10)14-5-3-4(16(11,12)13)1-2-6(5)15/h1-3,15H,(H2,11,12,13).
What are the key properties of 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide?
4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170999351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).