5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide

C16H18FNO3S — CID 95118942

IUPAC5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccccc1
InChIInChI=1S/C16H18FNO3S/c1-3-14(12-7-5-4-6-8-12)18-22(19,20)16-11-13(17)9-10-15(16)21-2/h4-11,14,18H,3H2,1-2H3/t14-/m0/s1
InChIKeyWMULSGGOGGCUSU-AWEZNQCLSA-N
MW323.39 g/mol
LogP3.26
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide (PubChem CID 95118942) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
PubChem CID95118942
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccccc1
InChIInChI=1S/C16H18FNO3S/c1-3-14(12-7-5-4-6-8-12)18-22(19,20)16-11-13(17)9-10-15(16)21-2/h4-11,14,18H,3H2,1-2H3/t14-/m0/s1
InChIKeyWMULSGGOGGCUSU-AWEZNQCLSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
CID 25040131
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
CID 22201214
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide (CID 95118942) is 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide is CC[C@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccccc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
The InChIKey is WMULSGGOGGCUSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-3-14(12-7-5-4-6-8-12)18-22(19,20)16-11-13(17)9-10-15(16)21-2/h4-11,14,18H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 95118942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).