4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C12H14N2O3S — CID 69277542

IUPAC4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ocnc2C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(15,16)14-7-12-10(2)13-8-17-12/h3-6,8,14H,7H2,1-2H3
InChIKeyBSWCAFUJWJBFKS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.77
Rot. Bonds4

About 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 69277542) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID69277542
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ocnc2C)cc1
InChIInChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(15,16)14-7-12-10(2)13-8-17-12/h3-6,8,14H,7H2,1-2H3
InChIKeyBSWCAFUJWJBFKS-UHFFFAOYSA-N
XLogP1.77
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 69277542) is 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ocnc2C)cc1.
What is the InChIKey of 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BSWCAFUJWJBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(15,16)14-7-12-10(2)13-8-17-12/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 69277542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).