1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13ClN2O4S — CID 168717608

IUPAC1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1O
InChIInChI=1S/C11H13ClN2O4S/c1-6-2-3-8(10(12)11(6)16)14-5-7(4-9(14)15)19(13,17)18/h2-3,7,16H,4-5H2,1H3,(H2,13,17,18)
InChIKeyFCCGRMYVJUYGQM-UHFFFAOYSA-N
MW304.76 g/mol
LogP0.75
Rot. Bonds2

About 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717608) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717608
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC Name1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1O
InChIInChI=1S/C11H13ClN2O4S/c1-6-2-3-8(10(12)11(6)16)14-5-7(4-9(14)15)19(13,17)18/h2-3,7,16H,4-5H2,1H3,(H2,13,17,18)
InChIKeyFCCGRMYVJUYGQM-UHFFFAOYSA-N
XLogP0.75
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-[5-(hydroxymethyl)-2-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717729
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669
1-(5-cyano-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717724
1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717595
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717608) is 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(Cl)c1O.
What is the InChIKey of 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is FCCGRMYVJUYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-6-2-3-8(10(12)11(6)16)14-5-7(4-9(14)15)19(13,17)18/h2-3,7,16H,4-5H2,1H3,(H2,13,17,18).
What are the key properties of 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 304.76 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).