N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C16H13BrN2O4S — CID 1107073

IUPACN-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O4S/c17-11-1-3-12(4-2-11)18-24(22,23)14-7-5-13(6-8-14)19-15(20)9-10-16(19)21/h1-8,18H,9-10H2
InChIKeyBQRQGYDUXSQJBE-UHFFFAOYSA-N
MW409.26 g/mol
LogP2.90
Rot. Bonds4

About N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 1107073) has the molecular formula C16H13BrN2O4S and a molecular weight of 409.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID1107073
Molecular FormulaC16H13BrN2O4S
Molecular Weight409.26 g/mol
Exact Mass407.98
IUPAC NameN-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O4S/c17-11-1-3-12(4-2-11)18-24(22,23)14-7-5-13(6-8-14)19-15(20)9-10-16(19)21/h1-8,18H,9-10H2
InChIKeyBQRQGYDUXSQJBE-UHFFFAOYSA-N
XLogP2.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 52.90
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

CID 79611
CID 79611
CID 20109205
CID 20109205
CID 155529158
CID 155529158
CID 155555383
CID 155555383
CID 984584
CID 984584
CID 2216524
CID 2216524
CID 4806474
CID 4806474
CID 8822294
CID 8822294
CID 118706948
CID 118706948
CID 127026502
CID 127026502
CID 162654027
CID 162654027
CID 8822272
CID 8822272

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 1107073) is N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is BQRQGYDUXSQJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4S/c17-11-1-3-12(4-2-11)18-24(22,23)14-7-5-13(6-8-14)19-15(20)9-10-16(19)21/h1-8,18H,9-10H2.
What are the key properties of N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 409.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 1107073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).