[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol

C11H14ClNO3S — CID 75510156

IUPAC[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
SMILESCc1ccc(Cl)c(S(=O)(=O)N2CC(CO)C2)c1
InChIInChI=1S/C11H14ClNO3S/c1-8-2-3-10(12)11(4-8)17(15,16)13-5-9(6-13)7-14/h2-4,9,14H,5-7H2,1H3
InChIKeyVKYOPWZUFBRULE-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.26
Rot. Bonds3

About [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol

[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol (PubChem CID 75510156) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
PubChem CID75510156
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
SMILESCc1ccc(Cl)c(S(=O)(=O)N2CC(CO)C2)c1
InChIInChI=1S/C11H14ClNO3S/c1-8-2-3-10(12)11(4-8)17(15,16)13-5-9(6-13)7-14/h2-4,9,14H,5-7H2,1H3
InChIKeyVKYOPWZUFBRULE-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-2,4-dimethylbenzoic acid
CID 107215896
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
5-(2-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212787
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213103
1-(2-chloro-5-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104414
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol?
The IUPAC name of [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol (CID 75510156) is [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol is Cc1ccc(Cl)c(S(=O)(=O)N2CC(CO)C2)c1.
What is the InChIKey of [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol?
The InChIKey is VKYOPWZUFBRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-8-2-3-10(12)11(4-8)17(15,16)13-5-9(6-13)7-14/h2-4,9,14H,5-7H2,1H3.
What are the key properties of [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol?
[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol has a molecular weight of 275.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol is sourced from PubChem (CID 75510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).