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

C15H18N2O3S — CID 977116

IUPAC2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C15H18N2O3S/c1-11(2)12-7-8-13(20-3)14(10-12)21(18,19)17-15-6-4-5-9-16-15/h4-11H,1-3H3,(H,16,17)
InChIKeyWNAQXBSCHKSRNI-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.01
Rot. Bonds5

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

2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 977116) 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-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID977116
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C15H18N2O3S/c1-11(2)12-7-8-13(20-3)14(10-12)21(18,19)17-15-6-4-5-9-16-15/h4-11H,1-3H3,(H,16,17)
InChIKeyWNAQXBSCHKSRNI-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide (CID 977116) is 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WNAQXBSCHKSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(2)12-7-8-13(20-3)14(10-12)21(18,19)17-15-6-4-5-9-16-15/h4-11H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide?
2-methoxy-5-propan-2-yl-N-pyridin-2-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-2-ylbenzenesulfonamide is sourced from PubChem (CID 977116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).