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

C12H11N3O3S — CID 115972431

IUPAC1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
SMILESCc1coc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C12H11N3O3S/c1-9-7-18-12(14-9)15-19(16,17)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,15)
InChIKeyNXTFVSXHHIGFNM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.80
Rot. Bonds4

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

1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide (PubChem CID 115972431) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
PubChem CID115972431
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
SMILESCc1coc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C12H11N3O3S/c1-9-7-18-12(14-9)15-19(16,17)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,15)
InChIKeyNXTFVSXHHIGFNM-UHFFFAOYSA-N
XLogP1.80
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide (CID 115972431) is 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide is Cc1coc(NS(=O)(=O)Cc2ccc(C#N)cc2)n1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide?
The InChIKey is NXTFVSXHHIGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-9-7-18-12(14-9)15-19(16,17)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,15).
What are the key properties of 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide is sourced from PubChem (CID 115972431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).