6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C8H8ClF3N2O2S — CID 86668141

IUPAC6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c1-5(8(10,11)12)14-17(15,16)6-2-3-7(9)13-4-6/h2-5,14H,1H3/t5-/m1/s1
InChIKeyRMHQXULHALBZPQ-RXMQYKEDSA-N
MW288.68 g/mol
LogP1.96
Rot. Bonds3

About 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 86668141) has the molecular formula C8H8ClF3N2O2S and a molecular weight of 288.68 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID86668141
Molecular FormulaC8H8ClF3N2O2S
Molecular Weight288.68 g/mol
Exact Mass287.99
IUPAC Name6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c1-5(8(10,11)12)14-17(15,16)6-2-3-7(9)13-4-6/h2-5,14H,1H3/t5-/m1/s1
InChIKeyRMHQXULHALBZPQ-RXMQYKEDSA-N
XLogP1.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-chloro-2-deuterio-1,1,1-trifluoropropan-2-amine;6-chloro-N-[(2S)-2-deuterio-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-chloropyridine-3-sulfonyl chloride
CID 158039543
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65314396
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
methyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 60639366
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63063511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 86668141) is 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F.
What is the InChIKey of 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is RMHQXULHALBZPQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S/c1-5(8(10,11)12)14-17(15,16)6-2-3-7(9)13-4-6/h2-5,14H,1H3/t5-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 288.68 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 86668141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).