4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C16H20FN3O3S — CID 90088049

IUPAC4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCO[C@H](c1ccc(S(=O)(=O)NCc2cccnc2)cc1)[C@H](N)CF
InChIInChI=1S/C16H20FN3O3S/c1-23-16(15(18)9-17)13-4-6-14(7-5-13)24(21,22)20-11-12-3-2-8-19-10-12/h2-8,10,15-16,20H,9,11,18H2,1H3/t15-,16-/m1/s1
InChIKeyLGZOLUHTUHZTCZ-HZPDHXFCSA-N
MW353.42 g/mol
LogP1.54
Rot. Bonds8

About 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 90088049) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID90088049
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCO[C@H](c1ccc(S(=O)(=O)NCc2cccnc2)cc1)[C@H](N)CF
InChIInChI=1S/C16H20FN3O3S/c1-23-16(15(18)9-17)13-4-6-14(7-5-13)24(21,22)20-11-12-3-2-8-19-10-12/h2-8,10,15-16,20H,9,11,18H2,1H3/t15-,16-/m1/s1
InChIKeyLGZOLUHTUHZTCZ-HZPDHXFCSA-N
XLogP1.54
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086
4-(3-aminoprop-1-ynyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60846057
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
CID 141000174
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 90088049) is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is CO[C@H](c1ccc(S(=O)(=O)NCc2cccnc2)cc1)[C@H](N)CF.
What is the InChIKey of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LGZOLUHTUHZTCZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-23-16(15(18)9-17)13-4-6-14(7-5-13)24(21,22)20-11-12-3-2-8-19-10-12/h2-8,10,15-16,20H,9,11,18H2,1H3/t15-,16-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90088049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).