5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide

C18H22FNO5S2 — CID 69116642

IUPAC5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C(C)C
InChIInChI=1S/C18H22FNO5S2/c1-12(2)17-9-8-16(10-18(17)27(24,25)20-11-13(3)21)26(22,23)15-6-4-14(19)5-7-15/h4-10,12-13,20-21H,11H2,1-3H3
InChIKeyFFFIYTVKGDEVAL-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.44
Rot. Bonds7

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

5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 69116642) has the molecular formula C18H22FNO5S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
PubChem CID69116642
Molecular FormulaC18H22FNO5S2
Molecular Weight415.51 g/mol
Exact Mass415.09
IUPAC Name5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C(C)C
InChIInChI=1S/C18H22FNO5S2/c1-12(2)17-9-8-16(10-18(17)27(24,25)20-11-13(3)21)26(22,23)15-6-4-14(19)5-7-15/h4-10,12-13,20-21H,11H2,1-3H3
InChIKeyFFFIYTVKGDEVAL-UHFFFAOYSA-N
XLogP2.44
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
5-(4-fluorophenyl)sulfonyl-2-propan-2-ylbenzenesulfonyl chloride
CID 57430825
5-(4-fluorophenyl)sulfonyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylbenzenesulfonamide
CID 57430282
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
5-(benzenesulfonyl)-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 69116587
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
4-fluoro-N-(2-hydroxypropyl)-3-nitrobenzenesulfonamide
CID 43502399

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide (CID 69116642) is 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide is CC(O)CNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C(C)C.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is FFFIYTVKGDEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO5S2/c1-12(2)17-9-8-16(10-18(17)27(24,25)20-11-13(3)21)26(22,23)15-6-4-14(19)5-7-15/h4-10,12-13,20-21H,11H2,1-3H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide?
5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 415.51 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-N-(2-hydroxypropyl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 69116642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).