4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide

C23H24F3NO5S — CID 158322174

IUPAC4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1OCC1CC1
InChIInChI=1S/C23H24F3NO5S/c24-23(25,26)18-3-1-2-16(8-18)9-20(28)10-17-11-21(33(29,30)27-19-13-31-14-19)6-7-22(17)32-12-15-4-5-15/h1-3,6-8,11,15,19,27H,4-5,9-10,12-14H2
InChIKeyGOZFNULPCBCUNV-UHFFFAOYSA-N
MW483.51 g/mol
LogP3.53
Rot. Bonds10

About 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide

4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide (PubChem CID 158322174) has the molecular formula C23H24F3NO5S and a molecular weight of 483.51 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
PubChem CID158322174
Molecular FormulaC23H24F3NO5S
Molecular Weight483.51 g/mol
Exact Mass483.13
IUPAC Name4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1OCC1CC1
InChIInChI=1S/C23H24F3NO5S/c24-23(25,26)18-3-1-2-16(8-18)9-20(28)10-17-11-21(33(29,30)27-19-13-31-14-19)6-7-22(17)32-12-15-4-5-15/h1-3,6-8,11,15,19,27H,4-5,9-10,12-14H2
InChIKeyGOZFNULPCBCUNV-UHFFFAOYSA-N
XLogP3.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide (CID 158322174) is 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide is O=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NC2COC2)ccc1OCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide?
The InChIKey is GOZFNULPCBCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO5S/c24-23(25,26)18-3-1-2-16(8-18)9-20(28)10-17-11-21(33(29,30)27-19-13-31-14-19)6-7-22(17)32-12-15-4-5-15/h1-3,6-8,11,15,19,27H,4-5,9-10,12-14H2.
What are the key properties of 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide?
4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide has a molecular weight of 483.51 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide is sourced from PubChem (CID 158322174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).