3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

C16H20N2O3S — CID 110758191

IUPAC3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccn1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-16-6-5-15(9-12(16)3)22(19,20)18-14-7-8-17-13(4)10-14/h5-11H,1-4H3,(H,17,18)
InChIKeyPLVAEQQQAXLUKD-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758191) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758191
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccn1
InChIInChI=1S/C16H20N2O3S/c1-11(2)21-16-6-5-15(9-12(16)3)22(19,20)18-14-7-8-17-13(4)10-14/h5-11H,1-4H3,(H,17,18)
InChIKeyPLVAEQQQAXLUKD-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 87026713
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (CID 110758191) is 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccn1.
What is the InChIKey of 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PLVAEQQQAXLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)21-16-6-5-15(9-12(16)3)22(19,20)18-14-7-8-17-13(4)10-14/h5-11H,1-4H3,(H,17,18).
What are the key properties of 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).