6-(trifluoromethyl)pyridine-2-sulfonyl chloride

C6H3ClF3NO2S — CID 53415104

IUPAC6-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKeyNYLSSIUKRSAKBT-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.03
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-2-sulfonyl chloride

6-(trifluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 53415104) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID53415104
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name6-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKeyNYLSSIUKRSAKBT-UHFFFAOYSA-N
XLogP2.03
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethylpyridine-3-sulfonic acid
CID 15764224
6-Fluoropyridine-2-sulfonamide
CID 15036877
6-(Trifluoromethyl)pyridine-3-sulfonyl chloride
CID 45594311
1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate
CID 2737291
2-Methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75365617
1-Fluoro-4,6-dimethylpyridin-1-ium-2-sulfonate
CID 2737313
6-Methylpyridine-2-sulfonyl chloride
CID 12295464
6-Fluoropyridine-2-sulfonyl chloride
CID 15729536
2-(Trifluoromethyl)-3-pyridinesulfonyl chloride
CID 23225574
2,6-Difluoropyridine-3-sulfonyl chloride
CID 55279846
2-Chloro-6-methylpyridine-3-sulfonyl chloride
CID 55280564
2-Chloro-6-(trifluoromethyl)-3-pyridinesulfonyl chloride
CID 57361936

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-(trifluoromethyl)pyridine-2-sulfonyl chloride (CID 53415104) is 6-(trifluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(trifluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is NYLSSIUKRSAKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-1-2-4(11-5)6(8,9)10/h1-3H.
What are the key properties of 6-(trifluoromethyl)pyridine-2-sulfonyl chloride?
6-(trifluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 245.61 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 53415104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).