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

C19H17FN2O3S — CID 178134549

IUPAC[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)n1cc(CO)c(C2CC2)c1-c1ccccc1F
InChIInChI=1S/C19H17FN2O3S/c20-17-6-2-1-5-16(17)19-18(13-7-8-13)14(12-23)11-22(19)26(24,25)15-4-3-9-21-10-15/h1-6,9-11,13,23H,7-8,12H2
InChIKeyVXCOAVXZNOSIIW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.30
Rot. Bonds5

About [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol

[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol (PubChem CID 178134549) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
PubChem CID178134549
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1cccnc1)n1cc(CO)c(C2CC2)c1-c1ccccc1F
InChIInChI=1S/C19H17FN2O3S/c20-17-6-2-1-5-16(17)19-18(13-7-8-13)14(12-23)11-22(19)26(24,25)15-4-3-9-21-10-15/h1-6,9-11,13,23H,7-8,12H2
InChIKeyVXCOAVXZNOSIIW-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
4-cyclopropyl-5-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 178134459
4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
CID 178134450
6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
CID 154703208
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
CID 141403376
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 175666290
N-[(3-pyridin-3-ylsulfonyl-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)methyl]ethanamine
CID 177315116
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
but-2-enedioic acid;1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 173069166
(E)-but-2-enedioic acid;1,1,1-trideuterio-N-[deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]methanamine
CID 163322704
2-bromo-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 161441428
[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl N-tert-butyl-N-methylcarbamate
CID 69096453

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol (CID 178134549) is [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol is O=S(=O)(c1cccnc1)n1cc(CO)c(C2CC2)c1-c1ccccc1F.
What is the InChIKey of [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
The InChIKey is VXCOAVXZNOSIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-17-6-2-1-5-16(17)19-18(13-7-8-13)14(12-23)11-22(19)26(24,25)15-4-3-9-21-10-15/h1-6,9-11,13,23H,7-8,12H2.
What are the key properties of [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol?
[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol has a molecular weight of 372.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol is sourced from PubChem (CID 178134549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).