N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide

C13H10BrClN2OS — CID 1325893

IUPACN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2OS/c14-9-1-6-12(16-7-9)17-13(18)8-19-11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18)
InChIKeyDUTJZLXWXGOUTA-UHFFFAOYSA-N
MW357.66 g/mol
LogP4.23
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 1325893) has the molecular formula C13H10BrClN2OS and a molecular weight of 357.66 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID1325893
Molecular FormulaC13H10BrClN2OS
Molecular Weight357.66 g/mol
Exact Mass355.94
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2OS/c14-9-1-6-12(16-7-9)17-13(18)8-19-11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18)
InChIKeyDUTJZLXWXGOUTA-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6498506
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 25250371
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630279
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775889
5-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942163
N-(5-bromo-2-pyridinyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5027984
2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide
CID 60968216

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 1325893) is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is DUTJZLXWXGOUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2OS/c14-9-1-6-12(16-7-9)17-13(18)8-19-11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 357.66 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 1325893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).