5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide

C17H20FNO3S — CID 6735577

IUPAC5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide
SMILESCOCC(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNO3S/c1-13-8-9-15(18)11-17(13)23(20,21)19-16(12-22-2)10-14-6-4-3-5-7-14/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyNHHOJOXTOJKHKB-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.67
Rot. Bonds7

About 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide

5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 6735577) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide
PubChem CID6735577
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide
SMILESCOCC(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNO3S/c1-13-8-9-15(18)11-17(13)23(20,21)19-16(12-22-2)10-14-6-4-3-5-7-14/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyNHHOJOXTOJKHKB-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide (CID 6735577) is 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide is COCC(Cc1ccccc1)NS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is NHHOJOXTOJKHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13-8-9-15(18)11-17(13)23(20,21)19-16(12-22-2)10-14-6-4-3-5-7-14/h3-9,11,16,19H,10,12H2,1-2H3.
What are the key properties of 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide?
5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methoxy-3-phenylpropan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 6735577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).