5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide

C22H14Br2Cl2N4O6S3 — CID 4730144

IUPAC5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3cnc(Cl)c(Br)c3)cc2)cc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C22H14Br2Cl2N4O6S3/c23-19-9-17(11-27-21(19)25)38(33,34)29-13-1-5-15(6-2-13)37(31,32)16-7-3-14(4-8-16)30-39(35,36)18-10-20(24)22(26)28-12-18/h1-12,29-30H
InChIKeyHVFMMDMUHBFLFA-UHFFFAOYSA-N
MW757.29 g/mol
LogP5.74
Rot. Bonds8

About 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide

5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide (PubChem CID 4730144) has the molecular formula C22H14Br2Cl2N4O6S3 and a molecular weight of 757.29 g/mol. Its IUPAC name is 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
PubChem CID4730144
Molecular FormulaC22H14Br2Cl2N4O6S3
Molecular Weight757.29 g/mol
Exact Mass753.78
IUPAC Name5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3cnc(Cl)c(Br)c3)cc2)cc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C22H14Br2Cl2N4O6S3/c23-19-9-17(11-27-21(19)25)38(33,34)29-13-1-5-15(6-2-13)37(31,32)16-7-3-14(4-8-16)30-39(35,36)18-10-20(24)22(26)28-12-18/h1-12,29-30H
InChIKeyHVFMMDMUHBFLFA-UHFFFAOYSA-N
XLogP5.74
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.29
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
CID 4730055
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(6-amino-3-pyridinyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide (CID 4730144) is 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3cnc(Cl)c(Br)c3)cc2)cc1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide?
The InChIKey is HVFMMDMUHBFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2Cl2N4O6S3/c23-19-9-17(11-27-21(19)25)38(33,34)29-13-1-5-15(6-2-13)37(31,32)16-7-3-14(4-8-16)30-39(35,36)18-10-20(24)22(26)28-12-18/h1-12,29-30H.
What are the key properties of 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide?
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide has a molecular weight of 757.29 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 4730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).