3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide

C12H11N3O3S — CID 47405544

IUPAC3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C#N)c2)no1
InChIInChI=1S/C12H11N3O3S/c1-9-5-11(15-18-9)8-14-19(16,17)12-4-2-3-10(6-12)7-13/h2-6,14H,8H2,1H3
InChIKeyOBOSUWOPHKVQCM-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.33
Rot. Bonds4

About 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide

3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (PubChem CID 47405544) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
PubChem CID47405544
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C#N)c2)no1
InChIInChI=1S/C12H11N3O3S/c1-9-5-11(15-18-9)8-14-19(16,17)12-4-2-3-10(6-12)7-13/h2-6,14H,8H2,1H3
InChIKeyOBOSUWOPHKVQCM-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
N-cyclopentyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 72867764
3-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883848
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (CID 47405544) is 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2cccc(C#N)c2)no1.
What is the InChIKey of 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is OBOSUWOPHKVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-9-5-11(15-18-9)8-14-19(16,17)12-4-2-3-10(6-12)7-13/h2-6,14H,8H2,1H3.
What are the key properties of 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).