N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C15H13F3N2O4S — CID 10643113

IUPACN-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-12-8-7-11(9-19-12)25(23,24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,19,20,21)
InChIKeySLMMALQKIRTOFC-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.17
Rot. Bonds4

About N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10643113) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10643113
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC NameN-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-12-8-7-11(9-19-12)25(23,24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,19,20,21)
InChIKeySLMMALQKIRTOFC-UHFFFAOYSA-N
XLogP2.17
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10643113) is N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C(F)(F)F.
What is the InChIKey of N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is SLMMALQKIRTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-14(22,15(16,17)18)13(21)20-12-8-7-11(9-19-12)25(23,24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,19,20,21).
What are the key properties of N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 374.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10643113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).