N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

C18H17N3O3S — CID 66715251

IUPACN-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C
InChIInChI=1S/C18H17N3O3S/c1-13-17(11-19-12-20-13)16-9-8-14(10-18(16)24-2)21-25(22,23)15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyRJZPAFGZMMTXND-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.26
Rot. Bonds5

About N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide

N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (PubChem CID 66715251) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
PubChem CID66715251
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C
InChIInChI=1S/C18H17N3O3S/c1-13-17(11-19-12-20-13)16-9-8-14(10-18(16)24-2)21-25(22,23)15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyRJZPAFGZMMTXND-UHFFFAOYSA-N
XLogP3.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide (CID 66715251) is N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C.
What is the InChIKey of N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
The InChIKey is RJZPAFGZMMTXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-17(11-19-12-20-13)16-9-8-14(10-18(16)24-2)21-25(22,23)15-6-4-3-5-7-15/h3-12,21H,1-2H3.
What are the key properties of N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide?
N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66715251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).