2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide

C7H6F3NO2S2 — CID 23448648

IUPAC2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S)cccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S2/c8-7(9,10)4-2-1-3-5(14)6(4)15(11,12)13/h1-3,14H,(H2,11,12,13)
InChIKeyJWFQVZQTEGETAK-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.64
Rot. Bonds1

About 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide

2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 23448648) has the molecular formula C7H6F3NO2S2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
PubChem CID23448648
Molecular FormulaC7H6F3NO2S2
Molecular Weight257.26 g/mol
Exact Mass256.98
IUPAC Name2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S)cccc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S2/c8-7(9,10)4-2-1-3-5(14)6(4)15(11,12)13/h1-3,14H,(H2,11,12,13)
InChIKeyJWFQVZQTEGETAK-UHFFFAOYSA-N
XLogP1.64
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-6-(trifluoromethyl)benzenesulfonamide
CID 171028588
N-tert-butyl-2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448647
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
2-bromo-3,6-bis(trifluoromethyl)benzenesulfonamide
CID 134623910
2-amino-6-(trifluoromethyl)benzenesulfonic acid
CID 23216666
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
2-cyano-3-(trifluoromethyl)benzenesulfonamide
CID 118996048
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
2,3-bis(trifluoromethyl)benzenethiol;hydrochloride;tetrahydrofluoride
CID 173469139
sodium;hydride;2-methyl-6-(trifluoromethyl)benzenesulfonic acid
CID 173302154
2-ethyl-6-(trifluoromethyl)benzenesulfonate
CID 152762209
2-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67327886

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide (CID 23448648) is 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(S)cccc1C(F)(F)F.
What is the InChIKey of 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JWFQVZQTEGETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S2/c8-7(9,10)4-2-1-3-5(14)6(4)15(11,12)13/h1-3,14H,(H2,11,12,13).
What are the key properties of 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide?
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 257.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).