N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H17F3N2O3S — CID 97349784

IUPACN-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H](O)C1CCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-8-11(19)9-3-1-2-4-9/h5-7,9,11,18-19H,1-4,8H2/t11-/m0/s1
InChIKeyYEMIXJXASDUSSF-NSHDSACASA-N
MW338.35 g/mol
LogP1.93
Rot. Bonds5

About N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 97349784) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID97349784
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H](O)C1CCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-8-11(19)9-3-1-2-4-9/h5-7,9,11,18-19H,1-4,8H2/t11-/m0/s1
InChIKeyYEMIXJXASDUSSF-NSHDSACASA-N
XLogP1.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 97349784) is N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(NC[C@H](O)C1CCCC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is YEMIXJXASDUSSF-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-8-11(19)9-3-1-2-4-9/h5-7,9,11,18-19H,1-4,8H2/t11-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 338.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 97349784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).