2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C11H14ClF3N2O3S — CID 124882574

IUPAC2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H14ClF3N2O3S/c1-7(3-2-6-18)17-21(19,20)8-4-5-9(11(13,14)15)16-10(8)12/h4-5,7,17-18H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyBZXZFNLTZCWMEM-SSDOTTSWSA-N
MW346.76 g/mol
LogP2.19
Rot. Bonds6

About 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 124882574) has the molecular formula C11H14ClF3N2O3S and a molecular weight of 346.76 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID124882574
Molecular FormulaC11H14ClF3N2O3S
Molecular Weight346.76 g/mol
Exact Mass346.04
IUPAC Name2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H14ClF3N2O3S/c1-7(3-2-6-18)17-21(19,20)8-4-5-9(11(13,14)15)16-10(8)12/h4-5,7,17-18H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyBZXZFNLTZCWMEM-SSDOTTSWSA-N
XLogP2.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 124882574) is 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is C[C@H](CCCO)NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is BZXZFNLTZCWMEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClF3N2O3S/c1-7(3-2-6-18)17-21(19,20)8-4-5-9(11(13,14)15)16-10(8)12/h4-5,7,17-18H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 346.76 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-5-hydroxypentan-2-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 124882574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).