2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

C13H10BrClN2OS — CID 51258941

IUPAC2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1ccccc1Br)Nc1cccnc1Cl
InChIInChI=1S/C13H10BrClN2OS/c14-9-4-1-2-6-11(9)19-8-12(18)17-10-5-3-7-16-13(10)15/h1-7H,8H2,(H,17,18)
InChIKeyLWAGGHDTCRVOQE-UHFFFAOYSA-N
MW357.66 g/mol
LogP4.23
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 51258941) has the molecular formula C13H10BrClN2OS and a molecular weight of 357.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID51258941
Molecular FormulaC13H10BrClN2OS
Molecular Weight357.66 g/mol
Exact Mass355.94
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1ccccc1Br)Nc1cccnc1Cl
InChIInChI=1S/C13H10BrClN2OS/c14-9-4-1-2-6-11(9)19-8-12(18)17-10-5-3-7-16-13(10)15/h1-7H,8H2,(H,17,18)
InChIKeyLWAGGHDTCRVOQE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
N-(2-chloro-3-pyridinyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458717
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 79149350
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
CID 7774992
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 4206792
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795150
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 2530193

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (CID 51258941) is 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is O=C(CSc1ccccc1Br)Nc1cccnc1Cl.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is LWAGGHDTCRVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2OS/c14-9-4-1-2-6-11(9)19-8-12(18)17-10-5-3-7-16-13(10)15/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide 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 2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 51258941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).