N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide

C10H5BrCl3N3O2S — CID 107788764

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cnc(Cl)nc1
InChIInChI=1S/C10H5BrCl3N3O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)5-3-15-10(14)16-4-5/h1-4,17H
InChIKeyKZNJCUAZKJHLFU-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.00
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide

N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 107788764) has the molecular formula C10H5BrCl3N3O2S and a molecular weight of 417.50 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
PubChem CID107788764
Molecular FormulaC10H5BrCl3N3O2S
Molecular Weight417.50 g/mol
Exact Mass414.84
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cnc(Cl)nc1
InChIInChI=1S/C10H5BrCl3N3O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)5-3-15-10(14)16-4-5/h1-4,17H
InChIKeyKZNJCUAZKJHLFU-UHFFFAOYSA-N
XLogP4.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
CID 106088231
N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 43456516
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide (CID 107788764) is N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide is O=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cnc(Cl)nc1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is KZNJCUAZKJHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)5-3-15-10(14)16-4-5/h1-4,17H.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide has a molecular weight of 417.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 107788764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).