5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide

C16H16FN3O3S — CID 97325949

IUPAC5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cncc(F)c1
InChIInChI=1S/C16H16FN3O3S/c17-12-6-14(9-18-8-12)24(22,23)20-13(10-21)5-11-7-19-16-4-2-1-3-15(11)16/h1-4,6-9,13,19-21H,5,10H2/t13-/m1/s1
InChIKeyQVEHQIZXSOKPST-CYBMUJFWSA-N
MW349.39 g/mol
LogP1.58
Rot. Bonds6

About 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide

5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide (PubChem CID 97325949) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
PubChem CID97325949
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cncc(F)c1
InChIInChI=1S/C16H16FN3O3S/c17-12-6-14(9-18-8-12)24(22,23)20-13(10-21)5-11-7-19-16-4-2-1-3-15(11)16/h1-4,6-9,13,19-21H,5,10H2/t13-/m1/s1
InChIKeyQVEHQIZXSOKPST-CYBMUJFWSA-N
XLogP1.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
2-chloro-4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-5-(trifluoromethyl)phenyl]benzamide
CID 25019629
4-bromo-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
CID 155532113
3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
CID 84584832
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(2-phenylphenyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017846
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(2-methoxypyrimidin-5-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 25017596
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
5-(4-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 71050406
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
CID 69144153

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide (CID 97325949) is 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide is O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide?
The InChIKey is QVEHQIZXSOKPST-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-12-6-14(9-18-8-12)24(22,23)20-13(10-21)5-11-7-19-16-4-2-1-3-15(11)16/h1-4,6-9,13,19-21H,5,10H2/t13-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide?
5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97325949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).