2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C19H20Cl2N2O4S — CID 42979737

IUPAC2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-27-17-7-3-2-6-16(17)23(13-19(24)22-10-4-5-11-22)28(25,26)18-12-14(20)8-9-15(18)21/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyCZQJILSOSOMNIF-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.82
Rot. Bonds6

About 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 42979737) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID42979737
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O4S/c1-27-17-7-3-2-6-16(17)23(13-19(24)22-10-4-5-11-22)28(25,26)18-12-14(20)8-9-15(18)21/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyCZQJILSOSOMNIF-UHFFFAOYSA-N
XLogP3.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-5-nitro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4787291
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1108098
N-(5-chloro-2-methoxyphenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
CID 1138015
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 3890580
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
N-(5-chloro-2-methoxyphenyl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126120362
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 42979737) is 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CZQJILSOSOMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-27-17-7-3-2-6-16(17)23(13-19(24)22-10-4-5-11-22)28(25,26)18-12-14(20)8-9-15(18)21/h2-3,6-9,12H,4-5,10-11,13H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 443.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42979737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).