4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide

C17H20FNO4S — CID 100693581

IUPAC4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO4S/c1-12-10-16(8-9-17(12)18)24(20,21)19-13(2)11-23-15-6-4-14(22-3)5-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyGWSDNHKTHNQFEY-ZDUSSCGKSA-N
MW353.42 g/mol
LogP2.89
Rot. Bonds7

About 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide

4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide (PubChem CID 100693581) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
PubChem CID100693581
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC Name4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H20FNO4S/c1-12-10-16(8-9-17(12)18)24(20,21)19-13(2)11-23-15-6-4-14(22-3)5-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyGWSDNHKTHNQFEY-ZDUSSCGKSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide (CID 100693581) is 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide is COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide?
The InChIKey is GWSDNHKTHNQFEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12-10-16(8-9-17(12)18)24(20,21)19-13(2)11-23-15-6-4-14(22-3)5-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide?
4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 100693581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).