5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide

C24H32FNO5S2 — CID 57430459

IUPAC5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C24H32FNO5S2/c1-16(2)21-13-22(17(3)4)24(33(29,30)26-15-18-9-11-31-12-10-18)14-23(21)32(27,28)20-7-5-19(25)6-8-20/h5-8,13-14,16-18,26H,9-12,15H2,1-4H3
InChIKeyUZYTZOASYROEJM-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.61
Rot. Bonds8

About 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide

5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide (PubChem CID 57430459) has the molecular formula C24H32FNO5S2 and a molecular weight of 497.65 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide
PubChem CID57430459
Molecular FormulaC24H32FNO5S2
Molecular Weight497.65 g/mol
Exact Mass497.17
IUPAC Name5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C24H32FNO5S2/c1-16(2)21-13-22(17(3)4)24(33(29,30)26-15-18-9-11-31-12-10-18)14-23(21)32(27,28)20-7-5-19(25)6-8-20/h5-8,13-14,16-18,26H,9-12,15H2,1-4H3
InChIKeyUZYTZOASYROEJM-UHFFFAOYSA-N
XLogP4.61
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide (CID 57430459) is 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide?
The InChIKey is UZYTZOASYROEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO5S2/c1-16(2)21-13-22(17(3)4)24(33(29,30)26-15-18-9-11-31-12-10-18)14-23(21)32(27,28)20-7-5-19(25)6-8-20/h5-8,13-14,16-18,26H,9-12,15H2,1-4H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide?
5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide has a molecular weight of 497.65 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-ylmethyl)-2,4-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 57430459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).