[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol

C19H22FNO3S — CID 97122597

IUPAC[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C19H22FNO3S/c1-14-2-7-18(20)19(10-14)25(23,24)21-9-8-17(12-21)11-15-3-5-16(13-22)6-4-15/h2-7,10,17,22H,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyHVVBBPSNPVVLNH-KRWDZBQOSA-N
MW363.45 g/mol
LogP2.88
Rot. Bonds5

About [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97122597) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97122597
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1
InChIInChI=1S/C19H22FNO3S/c1-14-2-7-18(20)19(10-14)25(23,24)21-9-8-17(12-21)11-15-3-5-16(13-22)6-4-15/h2-7,10,17,22H,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyHVVBBPSNPVVLNH-KRWDZBQOSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596
4-fluoro-3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylbenzoic acid
CID 166621347
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
[4-fluoro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970770
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(4aS,8aS)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482096
(4aS,8aR)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482098
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
[3,4-difluoro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
CID 105117541

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol (CID 97122597) is [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol is Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1.
What is the InChIKey of [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is HVVBBPSNPVVLNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-14-2-7-18(20)19(10-14)25(23,24)21-9-8-17(12-21)11-15-3-5-16(13-22)6-4-15/h2-7,10,17,22H,8-9,11-13H2,1H3/t17-/m0/s1.
What are the key properties of [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 363.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97122597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).