[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol

C15H22ClNO3S — CID 82879574

IUPAC[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14-5-4-6-17(14)21(19,20)15-8-13(16)7-12(9-18)11(15)3/h7-8,10,14,18H,4-6,9H2,1-3H3
InChIKeyTYNWAYUXNBGIIX-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.95
Rot. Bonds4

About [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol

[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol (PubChem CID 82879574) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
PubChem CID82879574
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C15H22ClNO3S/c1-10(2)14-5-4-6-17(14)21(19,20)15-8-13(16)7-12(9-18)11(15)3/h7-8,10,14,18H,4-6,9H2,1-3H3
InChIKeyTYNWAYUXNBGIIX-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-methyl-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
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[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 82891083
2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
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[5-chloro-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2-methylphenyl]methanol
CID 82880059
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
CID 82884531
[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
CID 103541089
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
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1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-[2-bromo-5-(chloromethyl)-3-methylphenyl]sulfonyl-2-propan-2-ylpyrrolidine
CID 114363666
[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102750119
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol (CID 82879574) is [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol is Cc1c(CO)cc(Cl)cc1S(=O)(=O)N1CCCC1C(C)C.
What is the InChIKey of [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is TYNWAYUXNBGIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-10(2)14-5-4-6-17(14)21(19,20)15-8-13(16)7-12(9-18)11(15)3/h7-8,10,14,18H,4-6,9H2,1-3H3.
What are the key properties of [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol?
[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 331.87 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 82879574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).