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

C17H15ClN2O4S — CID 16644480

IUPACN-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O4S/c18-13-2-1-3-14(10-13)19-25(23,24)15-6-4-12(5-7-15)11-20-16(21)8-9-17(20)22/h1-7,10,19H,8-9,11H2
InChIKeyBOZWXTMLKRMRPE-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.79
Rot. Bonds5

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

N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide (PubChem CID 16644480) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
PubChem CID16644480
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC NameN-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
SMILESO=C1CCC(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O4S/c18-13-2-1-3-14(10-13)19-25(23,24)15-6-4-12(5-7-15)11-20-16(21)8-9-17(20)22/h1-7,10,19H,8-9,11H2
InChIKeyBOZWXTMLKRMRPE-UHFFFAOYSA-N
XLogP2.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.79
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

N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543957
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(3-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 91937827
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
CID 16927385

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide (CID 16644480) is N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide is O=C1CCC(=O)N1Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
The InChIKey is BOZWXTMLKRMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c18-13-2-1-3-14(10-13)19-25(23,24)15-6-4-12(5-7-15)11-20-16(21)8-9-17(20)22/h1-7,10,19H,8-9,11H2.
What are the key properties of N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide?
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16644480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).