5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide

C20H24FNO5S2 — CID 57430337

IUPAC5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C20H24FNO5S2/c1-14(2)19-8-7-18(28(23,24)17-5-3-15(21)4-6-17)13-20(19)29(25,26)22-16-9-11-27-12-10-16/h3-8,13-14,16,22H,9-12H2,1-2H3
InChIKeyKMOYDBCJWCMABD-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.24
Rot. Bonds6

About 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide

5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 57430337) has the molecular formula C20H24FNO5S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID57430337
Molecular FormulaC20H24FNO5S2
Molecular Weight441.55 g/mol
Exact Mass441.11
IUPAC Name5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C20H24FNO5S2/c1-14(2)19-8-7-18(28(23,24)17-5-3-15(21)4-6-17)13-20(19)29(25,26)22-16-9-11-27-12-10-16/h3-8,13-14,16,22H,9-12H2,1-2H3
InChIKeyKMOYDBCJWCMABD-UHFFFAOYSA-N
XLogP3.24
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.24
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-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide (CID 57430337) is 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is KMOYDBCJWCMABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO5S2/c1-14(2)19-8-7-18(28(23,24)17-5-3-15(21)4-6-17)13-20(19)29(25,26)22-16-9-11-27-12-10-16/h3-8,13-14,16,22H,9-12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide?
5-(4-fluorophenyl)sulfonyl-N-(oxan-4-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.24, 6 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-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 57430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).