N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide

C13H10BrN3O2S — CID 43520677

IUPACN-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10BrN3O2S/c14-12-6-3-7-13(16-12)17-20(18,19)9-11-5-2-1-4-10(11)8-15/h1-7H,9H2,(H,16,17)
InChIKeyLJFCTSOHVMFNSX-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.66
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide

N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 43520677) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
PubChem CID43520677
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC NameN-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H10BrN3O2S/c14-12-6-3-7-13(16-12)17-20(18,19)9-11-5-2-1-4-10(11)8-15/h1-7H,9H2,(H,16,17)
InChIKeyLJFCTSOHVMFNSX-UHFFFAOYSA-N
XLogP2.66
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanophenyl)-N-(2,4-dibromophenyl)methanesulfonamide
CID 60681030
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
1-(2-cyanophenyl)-N-(1,2,4-triazin-3-yl)methanesulfonamide
CID 114387989
1-(2-cyanophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66354772
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673
1-(2-cyanophenyl)-N-(6-methoxy-3-pyridinyl)methanesulfonamide
CID 29037208
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
1-(2-cyanophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 60681191
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
5-bromo-N-[(2-cyanophenyl)methylsulfonyl]pyridine-3-carboxamide
CID 75403549

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide (CID 43520677) is N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is LJFCTSOHVMFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-12-6-3-7-13(16-12)17-20(18,19)9-11-5-2-1-4-10(11)8-15/h1-7H,9H2,(H,16,17).
What are the key properties of N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide?
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 352.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 43520677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).