3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C12H14Cl2N2O4S — CID 82918055

IUPAC3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-7-11(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H2,15,18,19)
InChIKeyBXPIHRXUIQQGQZ-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.64
Rot. Bonds4

About 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 82918055) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID82918055
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-7-11(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H2,15,18,19)
InChIKeyBXPIHRXUIQQGQZ-UHFFFAOYSA-N
XLogP1.64
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82915373
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82915970
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
2-(2,6-dichlorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 17494249
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
(2-oxo-2-piperidin-1-ylethyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2347384
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 104664230

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 82918055) is 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCC(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is BXPIHRXUIQQGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-7-11(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H2,15,18,19).
What are the key properties of 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82918055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).