4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

C16H20N2O3S — CID 2986032

IUPAC4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C
InChIInChI=1S/C16H20N2O3S/c1-11(2)13-10-15(12(3)9-14(13)21-4)22(19,20)18-16-7-5-6-8-17-16/h5-11H,1-4H3,(H,17,18)
InChIKeyHUYXSSDNUVVIHS-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.32
Rot. Bonds5

About 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide

4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 2986032) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID2986032
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C
InChIInChI=1S/C16H20N2O3S/c1-11(2)13-10-15(12(3)9-14(13)21-4)22(19,20)18-16-7-5-6-8-17-16/h5-11H,1-4H3,(H,17,18)
InChIKeyHUYXSSDNUVVIHS-UHFFFAOYSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (CID 2986032) is 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is HUYXSSDNUVVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)13-10-15(12(3)9-14(13)21-4)22(19,20)18-16-7-5-6-8-17-16/h5-11H,1-4H3,(H,17,18).
What are the key properties of 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2986032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).