N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide

C15H20F3NO4S — CID 99996999

IUPACN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO4S/c16-15(17,18)12-1-3-13(4-2-12)24(21,22)19-8-5-14(20)11-6-9-23-10-7-11/h1-4,11,14,19-20H,5-10H2/t14-/m1/s1
InChIKeyIUGUHIYDYCTZRP-CQSZACIVSA-N
MW367.39 g/mol
LogP2.16
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 99996999) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID99996999
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO4S/c16-15(17,18)12-1-3-13(4-2-12)24(21,22)19-8-5-14(20)11-6-9-23-10-7-11/h1-4,11,14,19-20H,5-10H2/t14-/m1/s1
InChIKeyIUGUHIYDYCTZRP-CQSZACIVSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide (CID 99996999) is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IUGUHIYDYCTZRP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c16-15(17,18)12-1-3-13(4-2-12)24(21,22)19-8-5-14(20)11-6-9-23-10-7-11/h1-4,11,14,19-20H,5-10H2/t14-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 99996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).