N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide

C13H10BrN3O2S — CID 102822237

IUPACN-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H10BrN3O2S/c14-12-4-5-16-13(7-12)17-20(18,19)9-11-3-1-2-10(6-11)8-15/h1-7H,9H2,(H,16,17)
InChIKeyGJAFRKTYDGZFSJ-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.66
Rot. Bonds4

About N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide

N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 102822237) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID102822237
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC NameN-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C13H10BrN3O2S/c14-12-4-5-16-13(7-12)17-20(18,19)9-11-3-1-2-10(6-11)8-15/h1-7H,9H2,(H,16,17)
InChIKeyGJAFRKTYDGZFSJ-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

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Related Compounds

N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 55151849
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
CID 104620961
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
1-(3-cyanophenyl)-N-(3-prop-2-enoxyphenyl)methanesulfonamide
CID 84598578
2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
CID 102822218
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide (CID 102822237) is N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)Nc2cc(Br)ccn2)c1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is GJAFRKTYDGZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-12-4-5-16-13(7-12)17-20(18,19)9-11-3-1-2-10(6-11)8-15/h1-7H,9H2,(H,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide?
N-(4-bromo-2-pyridinyl)-1-(3-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-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 102822237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).