5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide

C12H14N2O3S — CID 56950425

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)14-17-9(12)3/h4-6H,1-3H3,(H2,13,15,16)
InChIKeyCRSZBBYHHDCMTP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.91
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 56950425) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID56950425
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(N)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)14-17-9(12)3/h4-6H,1-3H3,(H2,13,15,16)
InChIKeyCRSZBBYHHDCMTP-UHFFFAOYSA-N
XLogP1.91
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide (CID 56950425) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is CRSZBBYHHDCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7-4-5-10(6-11(7)18(13,15)16)12-8(2)14-17-9(12)3/h4-6H,1-3H3,(H2,13,15,16).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 56950425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).