4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide

C16H21N3O3S — CID 97102028

About 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide

4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide (PubChem CID 97102028) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
• PubChem CID: 97102028
• Molecular Formula: C16H21N3O3S
• Molecular Weight: 335.43 g/mol
• Exact Mass: 335.13
• IUPAC Name: 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N[C@@H]2CCc3nc(C)cn3C2)c(C)c1
• InChI: InChI=1S/C16H21N3O3S/c1-11-8-14(22-3)5-6-15(11)23(20,21)18-13-4-7-16-17-12(2)9-19(16)10-13/h5-6,8-9,13,18H,4,7,10H2,1-3H3/t13-/m1/s1
• InChIKey: QIUKWOJCJKRTAT-CYBMUJFWSA-N
• XLogP: 1.80
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide?

The IUPAC name of 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide (CID 97102028) is 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2CCc3nc(C)cn3C2)c(C)c1.

What is the InChIKey of 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide?

The InChIKey is QIUKWOJCJKRTAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-8-14(22-3)5-6-15(11)23(20,21)18-13-4-7-16-17-12(2)9-19(16)10-13/h5-6,8-9,13,18H,4,7,10H2,1-3H3/t13-/m1/s1.

What are the key properties of 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide?

4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide is sourced from PubChem (CID 97102028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).