N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide

C10H5BrCl3N3O2S — CID 43456516

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1cnc(Cl)nc1
InChIInChI=1S/C10H5BrCl3N3O2S/c11-5-1-7(12)9(8(13)2-5)17-20(18,19)6-3-15-10(14)16-4-6/h1-4,17H
InChIKeyJACSKQUNULDLRZ-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.00
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide

N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 43456516) has the molecular formula C10H5BrCl3N3O2S and a molecular weight of 417.50 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
PubChem CID43456516
Molecular FormulaC10H5BrCl3N3O2S
Molecular Weight417.50 g/mol
Exact Mass414.84
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1cnc(Cl)nc1
InChIInChI=1S/C10H5BrCl3N3O2S/c11-5-1-7(12)9(8(13)2-5)17-20(18,19)6-3-15-10(14)16-4-6/h1-4,17H
InChIKeyJACSKQUNULDLRZ-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

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 83084493
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
CID 114052244
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide (CID 43456516) is N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide is O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1cnc(Cl)nc1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is JACSKQUNULDLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3O2S/c11-5-1-7(12)9(8(13)2-5)17-20(18,19)6-3-15-10(14)16-4-6/h1-4,17H.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide?
N-(4-bromo-2,6-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-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 43456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).