N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide

C16H10BrCl2N3O2S — CID 19735300

IUPACN-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrCl2N3O2S/c17-11-3-1-10(2-4-11)14-15(19)20-9-21-16(14)22-25(23,24)13-7-5-12(18)6-8-13/h1-9H,(H,20,21,22)
InChIKeyUIBLMOHOYIYZOR-UHFFFAOYSA-N
MW459.15 g/mol
LogP5.01
Rot. Bonds4

About N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide

N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide (PubChem CID 19735300) has the molecular formula C16H10BrCl2N3O2S and a molecular weight of 459.15 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
PubChem CID19735300
Molecular FormulaC16H10BrCl2N3O2S
Molecular Weight459.15 g/mol
Exact Mass456.91
IUPAC NameN-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrCl2N3O2S/c17-11-3-1-10(2-4-11)14-15(19)20-9-21-16(14)22-25(23,24)13-7-5-12(18)6-8-13/h1-9H,(H,20,21,22)
InChIKeyUIBLMOHOYIYZOR-UHFFFAOYSA-N
XLogP5.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.15
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735305
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
N-[6-chloro-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 19735304
5-(4-bromophenyl)-6-chloro-N-(1-methoxyethylsulfamoyl)pyrimidin-4-amine
CID 91453886
N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
CID 19735274
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735421
N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
CID 19735478
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
4-chloro-N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 19735506
N-[6-[2-(4-bromophenoxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-butylbenzenesulfonamide
CID 142641860
(E)-N-[6-[2-(4-bromophenoxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 159356391

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide (CID 19735300) is N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide?
The InChIKey is UIBLMOHOYIYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O2S/c17-11-3-1-10(2-4-11)14-15(19)20-9-21-16(14)22-25(23,24)13-7-5-12(18)6-8-13/h1-9H,(H,20,21,22).
What are the key properties of N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide?
N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide has a molecular weight of 459.15 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 19735300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).