4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

C17H15ClN2O4S — CID 3049671

IUPAC4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCC1(c2ccccc2Cl)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H15ClN2O4S/c1-17(13-4-2-3-5-14(13)18)10-15(21)20(16(17)22)11-6-8-12(9-7-11)25(19,23)24/h2-9H,10H2,1H3,(H2,19,23,24)
InChIKeyOHNKXNIWGXULTL-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.21
Rot. Bonds3

About 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide

4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 3049671) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID3049671
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
SMILESCC1(c2ccccc2Cl)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H15ClN2O4S/c1-17(13-4-2-3-5-14(13)18)10-15(21)20(16(17)22)11-6-8-12(9-7-11)25(19,23)24/h2-9H,10H2,1H3,(H2,19,23,24)
InChIKeyOHNKXNIWGXULTL-UHFFFAOYSA-N
XLogP2.21
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,6-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25045338
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
CID 1488674
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenesulfonamide
CID 134114210
4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 163544400
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388038
4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25044981
4-[4-(2,3-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25042120
1-(4-bromo-3-chlorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107612846
1-(3-hydroxy-4-methoxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47082455
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
3-acetyl-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 101396908
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide (CID 3049671) is 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is CC1(c2ccccc2Cl)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is OHNKXNIWGXULTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-17(13-4-2-3-5-14(13)18)10-15(21)20(16(17)22)11-6-8-12(9-7-11)25(19,23)24/h2-9H,10H2,1H3,(H2,19,23,24).
What are the key properties of 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide?
4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 3049671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).