4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide

C18H14Br2N2O4S2 — CID 5235003

IUPAC4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H
InChIKeyBAPBCXSDEZVPTP-UHFFFAOYSA-N
MW546.26 g/mol
LogP4.81
Rot. Bonds6

About 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide

4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide (PubChem CID 5235003) has the molecular formula C18H14Br2N2O4S2 and a molecular weight of 546.26 g/mol. Its IUPAC name is 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide
PubChem CID5235003
Molecular FormulaC18H14Br2N2O4S2
Molecular Weight546.26 g/mol
Exact Mass543.88
IUPAC Name4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H
InChIKeyBAPBCXSDEZVPTP-UHFFFAOYSA-N
XLogP4.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.26
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

Analyze 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide (CID 5235003) is 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide?
The InChIKey is BAPBCXSDEZVPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O4S2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22H.
What are the key properties of 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide?
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide has a molecular weight of 546.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]phenyl]benzenesulfonamide is sourced from PubChem (CID 5235003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).