[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol

C15H22FNO3S — CID 83219801

IUPAC[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)cc(F)c1C
InChIInChI=1S/C15H22FNO3S/c1-4-13-6-5-10(2)17(13)21(19,20)15-8-12(9-18)7-14(16)11(15)3/h7-8,10,13,18H,4-6,9H2,1-3H3
InChIKeyRHYAZPIAQAAARE-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.58
Rot. Bonds4

About [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol

[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol (PubChem CID 83219801) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol
PubChem CID83219801
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)cc(F)c1C
InChIInChI=1S/C15H22FNO3S/c1-4-13-6-5-10(2)17(13)21(19,20)15-8-12(9-18)7-14(16)11(15)3/h7-8,10,13,18H,4-6,9H2,1-3H3
InChIKeyRHYAZPIAQAAARE-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol?
The IUPAC name of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol (CID 83219801) is [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol.
What is the SMILES notation for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol?
The canonical SMILES for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol is CCC1CCC(C)N1S(=O)(=O)c1cc(CO)cc(F)c1C.
What is the InChIKey of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol?
The InChIKey is RHYAZPIAQAAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-4-13-6-5-10(2)17(13)21(19,20)15-8-12(9-18)7-14(16)11(15)3/h7-8,10,13,18H,4-6,9H2,1-3H3.
What are the key properties of [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol?
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol has a molecular weight of 315.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol is sourced from PubChem (CID 83219801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).