N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

C15H15BrClN3O3S2 — CID 24571729

IUPACN-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C15H15BrClN3O3S2/c1-20(2)25(22,23)11-4-6-15(18-8-11)24-9-14(21)19-13-5-3-10(16)7-12(13)17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyOWVTYCFQPSKLMK-UHFFFAOYSA-N
MW464.79 g/mol
LogP3.48
Rot. Bonds6

About N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 24571729) has the molecular formula C15H15BrClN3O3S2 and a molecular weight of 464.79 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID24571729
Molecular FormulaC15H15BrClN3O3S2
Molecular Weight464.79 g/mol
Exact Mass462.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C15H15BrClN3O3S2/c1-20(2)25(22,23)11-4-6-15(18-8-11)24-9-14(21)19-13-5-3-10(16)7-12(13)17/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyOWVTYCFQPSKLMK-UHFFFAOYSA-N
XLogP3.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759590
6-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N,N-dimethylpyridine-3-sulfonamide
CID 7759664
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 43249969
N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1304646
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
N-(4-bromo-2-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 24571086

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (CID 24571729) is N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(Br)cc2Cl)nc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is OWVTYCFQPSKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O3S2/c1-20(2)25(22,23)11-4-6-15(18-8-11)24-9-14(21)19-13-5-3-10(16)7-12(13)17/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 464.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 24571729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).