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

C15H18N2O3S — CID 2949561

IUPAC2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C15H18N2O3S/c1-11(2)12-4-5-14(20-3)15(10-12)21(18,19)17-13-6-8-16-9-7-13/h4-11H,1-3H3,(H,16,17)
InChIKeyIOSAGMYFYVFBKO-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.01
Rot. Bonds5

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

2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 2949561) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID2949561
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C15H18N2O3S/c1-11(2)12-4-5-14(20-3)15(10-12)21(18,19)17-13-6-8-16-9-7-13/h4-11H,1-3H3,(H,16,17)
InChIKeyIOSAGMYFYVFBKO-UHFFFAOYSA-N
XLogP3.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-Methoxy-3-[(pyridin-3-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid
CID 711415
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901
2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
[(2-Methoxy-4-methylphenyl)sulfonyl]-3-pyridylamine
CID 47001115

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide (CID 2949561) is 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is IOSAGMYFYVFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(2)12-4-5-14(20-3)15(10-12)21(18,19)17-13-6-8-16-9-7-13/h4-11H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide?
2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-yl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 2949561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).