1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol

C11H14ClNO3S — CID 62918645

IUPAC1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H14ClNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyAQKFCVIIPHKKGQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.40
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol

1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62918645) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID62918645
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H14ClNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyAQKFCVIIPHKKGQ-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
methyl 3-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoate
CID 62916612
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 62918645) is 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is AQKFCVIIPHKKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-8-2-3-9(12)6-11(8)17(15,16)13-5-4-10(14)7-13/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol?
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 275.76 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62918645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).