N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C16H14Br2N2O3S — CID 162654027

IUPACN-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C16H14Br2N2O3S/c17-11-8-12(18)10-13(9-11)19-24(22,23)15-5-3-14(4-6-15)20-7-1-2-16(20)21/h3-6,8-10,19H,1-2,7H2
InChIKeyLXFDOGVZNPPJJL-UHFFFAOYSA-N
MW474.17 g/mol
LogP4.14
Rot. Bonds4

About N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 162654027) has the molecular formula C16H14Br2N2O3S and a molecular weight of 474.17 g/mol. Its IUPAC name is N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID162654027
Molecular FormulaC16H14Br2N2O3S
Molecular Weight474.17 g/mol
Exact Mass471.91
IUPAC NameN-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C16H14Br2N2O3S/c17-11-8-12(18)10-13(9-11)19-24(22,23)15-5-3-14(4-6-15)20-7-1-2-16(20)21/h3-6,8-10,19H,1-2,7H2
InChIKeyLXFDOGVZNPPJJL-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.17
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 162654027) is N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is LXFDOGVZNPPJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O3S/c17-11-8-12(18)10-13(9-11)19-24(22,23)15-5-3-14(4-6-15)20-7-1-2-16(20)21/h3-6,8-10,19H,1-2,7H2.
What are the key properties of N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 474.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 162654027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).