4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C12H15N3O3S — CID 162661006

IUPAC4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C12H15N3O3S/c1-9-8-12(13-18-9)14-19(16,17)11-6-4-10(5-7-11)15(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyHLKGYQLPLBQMTR-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.85
Rot. Bonds4

About 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 162661006) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID162661006
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C12H15N3O3S/c1-9-8-12(13-18-9)14-19(16,17)11-6-4-10(5-7-11)15(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyHLKGYQLPLBQMTR-UHFFFAOYSA-N
XLogP1.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 162661006) is 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N(C)C)cc2)no1.
What is the InChIKey of 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is HLKGYQLPLBQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-8-12(13-18-9)14-19(16,17)11-6-4-10(5-7-11)15(2)3/h4-8H,1-3H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162661006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).