N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide

C9H11F3N2O2S — CID 123286777

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)14-17(15,16)7-5-3-4-6-13-7/h3-6,14H,1-2H3
InChIKeyFGOAPJPANOWYTN-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.70
Rot. Bonds3

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide (PubChem CID 123286777) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
PubChem CID123286777
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)14-17(15,16)7-5-3-4-6-13-7/h3-6,14H,1-2H3
InChIKeyFGOAPJPANOWYTN-UHFFFAOYSA-N
XLogP1.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
2-Pyridinesulfonic acid
CID 94849
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
1-Butylpyridinium triflate
CID 2734248
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
5-Aminopyridine-2-sulfonamide
CID 22313850
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N-3-Pyridylbenzenesulfonamide
CID 339079
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide (CID 123286777) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide is CC(C)(NS(=O)(=O)c1ccccn1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?
The InChIKey is FGOAPJPANOWYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)14-17(15,16)7-5-3-4-6-13-7/h3-6,14H,1-2H3.
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 123286777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).