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

C13H10BrClN2O3S — CID 25250371

IUPACN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O3S/c14-9-1-6-12(16-7-9)17-13(18)8-21(19,20)11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18)
InChIKeyJMVAIMMAORLNJM-UHFFFAOYSA-N
MW389.66 g/mol
LogP2.91
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 25250371) has the molecular formula C13H10BrClN2O3S and a molecular weight of 389.66 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID25250371
Molecular FormulaC13H10BrClN2O3S
Molecular Weight389.66 g/mol
Exact Mass387.93
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O3S/c14-9-1-6-12(16-7-9)17-13(18)8-21(19,20)11-4-2-10(15)3-5-11/h1-7H,8H2,(H,16,17,18)
InChIKeyJMVAIMMAORLNJM-UHFFFAOYSA-N
XLogP2.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 2985129
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
1-(5-bromo-2-pyridinyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 2209123

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide (CID 25250371) is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is JMVAIMMAORLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3S/c14-9-1-6-12(16-7-9)17-13(18)8-21(19,20)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)sulfonylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 389.66 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 25250371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).