N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C12H10BrN3O3S — CID 82708216

IUPACN-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ccc(Br)cc2C#N)no1
InChIInChI=1S/C12H10BrN3O3S/c1-8-4-11(15-19-8)7-20(17,18)16-12-3-2-10(13)5-9(12)6-14/h2-5,16H,7H2,1H3
InChIKeyBZLXHNYRHUITIM-UHFFFAOYSA-N
MW356.20 g/mol
LogP2.56
Rot. Bonds4

About N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 82708216) has the molecular formula C12H10BrN3O3S and a molecular weight of 356.20 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID82708216
Molecular FormulaC12H10BrN3O3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC NameN-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ccc(Br)cc2C#N)no1
InChIInChI=1S/C12H10BrN3O3S/c1-8-4-11(15-19-8)7-20(17,18)16-12-3-2-10(13)5-9(12)6-14/h2-5,16H,7H2,1H3
InChIKeyBZLXHNYRHUITIM-UHFFFAOYSA-N
XLogP2.56
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-3-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103895771
N-(2-hydroxy-3-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 79601438
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60785293
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
5-bromo-2-(tert-butylsulfamoylamino)benzonitrile
CID 114808012
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43604495
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 82708216) is N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2ccc(Br)cc2C#N)no1.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is BZLXHNYRHUITIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3S/c1-8-4-11(15-19-8)7-20(17,18)16-12-3-2-10(13)5-9(12)6-14/h2-5,16H,7H2,1H3.
What are the key properties of N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 356.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 82708216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).