N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide

C17H15N3O4S — CID 2999922

IUPACN-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ncccn3)cc2)cc1
InChIInChI=1S/C17H15N3O4S/c1-23-14-5-3-13(4-6-14)20-25(21,22)16-9-7-15(8-10-16)24-17-18-11-2-12-19-17/h2-12,20H,1H3
InChIKeyXZDQRWLDLRLJEY-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.08
Rot. Bonds6

About N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide

N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide (PubChem CID 2999922) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide
PubChem CID2999922
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ncccn3)cc2)cc1
InChIInChI=1S/C17H15N3O4S/c1-23-14-5-3-13(4-6-14)20-25(21,22)16-9-7-15(8-10-16)24-17-18-11-2-12-19-17/h2-12,20H,1H3
InChIKeyXZDQRWLDLRLJEY-UHFFFAOYSA-N
XLogP3.08
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide (CID 2999922) is N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Oc3ncccn3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide?
The InChIKey is XZDQRWLDLRLJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-23-14-5-3-13(4-6-14)20-25(21,22)16-9-7-15(8-10-16)24-17-18-11-2-12-19-17/h2-12,20H,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide?
N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide has a molecular weight of 357.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-pyrimidin-2-yloxybenzenesulfonamide is sourced from PubChem (CID 2999922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).