N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide

C14H13F3N2O3S — CID 56765474

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)11-5-3-10(4-6-11)13(20)9-19-23(21,22)12-2-1-7-18-8-12/h1-8,13,19-20H,9H2
InChIKeyCVWQGJISROULES-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.11
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide (PubChem CID 56765474) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide
PubChem CID56765474
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)11-5-3-10(4-6-11)13(20)9-19-23(21,22)12-2-1-7-18-8-12/h1-8,13,19-20H,9H2
InChIKeyCVWQGJISROULES-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide (CID 56765474) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCC(O)c1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide?
The InChIKey is CVWQGJISROULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c15-14(16,17)11-5-3-10(4-6-11)13(20)9-19-23(21,22)12-2-1-7-18-8-12/h1-8,13,19-20H,9H2.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 56765474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).