2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

C11H12Cl2N2O4S — CID 82914293

IUPAC2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2cc(Cl)c(S(N)(=O)=O)cc2Cl)C1=O
InChIInChI=1S/C11H12Cl2N2O4S/c1-15-3-2-8(11(15)16)19-9-4-7(13)10(5-6(9)12)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18)
InChIKeySXALTVFAUIWBSI-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.25
Rot. Bonds3

About 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (PubChem CID 82914293) has the molecular formula C11H12Cl2N2O4S and a molecular weight of 339.20 g/mol. Its IUPAC name is 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
PubChem CID82914293
Molecular FormulaC11H12Cl2N2O4S
Molecular Weight339.20 g/mol
Exact Mass337.99
IUPAC Name2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2cc(Cl)c(S(N)(=O)=O)cc2Cl)C1=O
InChIInChI=1S/C11H12Cl2N2O4S/c1-15-3-2-8(11(15)16)19-9-4-7(13)10(5-6(9)12)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18)
InChIKeySXALTVFAUIWBSI-UHFFFAOYSA-N
XLogP1.25
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Chloro-4-(morpholine-4-sulfonyl)-phenoxy]-1-pyrrolidin-1-yl-ethanone
CID 6493060
3-chloro-N-isopropyl-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzenesulfonamide
CID 1243261
2-[2-Chloro-4-(piperidine-1-sulfonyl)-phenoxy]-1-pyrrolidin-1-yl-ethanone
CID 2988234
2-[2-Chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide
CID 2243359
1-(2,5-Dichloro-4-ethoxyphenyl)sulfonylpyrrolidine
CID 850099
4-{[2-Chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2228477
1-[2-(2-Chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]pyrrolidin-2-one
CID 2418093
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 3454866
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 3466957
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-pentylacetamide
CID 3505223
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propylacetamide
CID 3589937

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (CID 82914293) is 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is CN1CCC(Oc2cc(Cl)c(S(N)(=O)=O)cc2Cl)C1=O.
What is the InChIKey of 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The InChIKey is SXALTVFAUIWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O4S/c1-15-3-2-8(11(15)16)19-9-4-7(13)10(5-6(9)12)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide has a molecular weight of 339.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is sourced from PubChem (CID 82914293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).