2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

C15H17N3O4S — CID 122187172

IUPAC2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
InChIKeyXYQZIYUVBIVLDY-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 122187172) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID122187172
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
InChIKeyXYQZIYUVBIVLDY-UHFFFAOYSA-N
XLogP1.53
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 122187172) is 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is Cc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is XYQZIYUVBIVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21).
What are the key properties of 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122187172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).