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

C12H11N3O3S — CID 75516328

IUPAC1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H11N3O3S/c1-9-7-18-14-12(9)15-19(16,17)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,15)
InChIKeyFNBDTCGHFMVDKM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.80
Rot. Bonds4

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

1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 75516328) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID75516328
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H11N3O3S/c1-9-7-18-14-12(9)15-19(16,17)8-11-4-2-10(6-13)3-5-11/h2-5,7H,8H2,1H3,(H,14,15)
InChIKeyFNBDTCGHFMVDKM-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 75516328) is 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1conc1NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is FNBDTCGHFMVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-9-7-18-14-12(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-1,2-oxazol-3-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(4-methyl-1,2-oxazol-3-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-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 75516328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).