[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol

C16H13FN2O3S — CID 138110729

IUPAC[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)n1cc(CO)cc1-c1ccccc1F
InChIInChI=1S/C16H13FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-10,20H,11H2
InChIKeyNKTNCHRTXGGZSQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.42
Rot. Bonds4

About [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol

[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol (PubChem CID 138110729) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
PubChem CID138110729
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)n1cc(CO)cc1-c1ccccc1F
InChIInChI=1S/C16H13FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-10,20H,11H2
InChIKeyNKTNCHRTXGGZSQ-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
4-[3-(Hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 71578641
(1-tosyl-1H-indol-3-yl)methanol
CID 839263
(2-{4-[(methylamino)methyl]-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-2-yl}phenyl)methanol Fumarate
CID 57522597
[1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol
CID 5096348
[4-Pyridin-4-yl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-methanol
CID 479486
2-[1-(Benzenesulfonyl)indol-3-yl]propan-2-ol
CID 506827
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}pyridine-3-sulfonamide
CID 56765474
4-(Methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
CID 70688086
N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-[1-(3-hydroxypropyl)pyrrol-2-yl]ethyl]phenyl]benzenesulfonamide
CID 70691622
(R)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-3-indolyl)-1-ethanol
CID 97414078
2-[(3S,4S)-1-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)pyrrolidin-3-yl]pyridine
CID 124051567

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol (CID 138110729) is [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol is O=S(=O)(c1cccnc1)n1cc(CO)cc1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The InChIKey is NKTNCHRTXGGZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-10,20H,11H2.
What are the key properties of [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol has a molecular weight of 332.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol is sourced from PubChem (CID 138110729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).