N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C19H19N3O3S — CID 1212198

IUPACN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-15-13-18(25-2)21-19(20-15)22(14-16-9-5-3-6-10-16)26(23,24)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKeyVEUGSXWGMAKWIL-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.19
Rot. Bonds6

About N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 1212198) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID1212198
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-15-13-18(25-2)21-19(20-15)22(14-16-9-5-3-6-10-16)26(23,24)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
InChIKeyVEUGSXWGMAKWIL-UHFFFAOYSA-N
XLogP3.19
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 1212198) is N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is VEUGSXWGMAKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-15-13-18(25-2)21-19(20-15)22(14-16-9-5-3-6-10-16)26(23,24)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 1212198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).