N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C14H18F3NO4S — CID 71796876

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H18F3NO4S/c15-14(16,17)12-3-1-11(2-4-12)9-23(20,21)18-10-13(19)5-7-22-8-6-13/h1-4,18-19H,5-10H2
InChIKeyUQKBVMZSYRAQKG-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.67
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71796876) has the molecular formula C14H18F3NO4S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71796876
Molecular FormulaC14H18F3NO4S
Molecular Weight353.36 g/mol
Exact Mass353.09
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H18F3NO4S/c15-14(16,17)12-3-1-11(2-4-12)9-23(20,21)18-10-13(19)5-7-22-8-6-13/h1-4,18-19H,5-10H2
InChIKeyUQKBVMZSYRAQKG-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71796876) is N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is UQKBVMZSYRAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO4S/c15-14(16,17)12-3-1-11(2-4-12)9-23(20,21)18-10-13(19)5-7-22-8-6-13/h1-4,18-19H,5-10H2.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 353.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71796876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).