N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide

C20H21N3O3S — CID 122262639

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccc(C)cc3C)ncn2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-4-9-20(15(2)10-14)27(24,25)23-12-17-11-19(22-13-21-17)16-5-7-18(26-3)8-6-16/h4-11,13,23H,12H2,1-3H3
InChIKeyCLUIKMZWXIJEGL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.25
Rot. Bonds6

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 122262639) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID122262639
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccc(C)cc3C)ncn2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14-4-9-20(15(2)10-14)27(24,25)23-12-17-11-19(22-13-21-17)16-5-7-18(26-3)8-6-16/h4-11,13,23H,12H2,1-3H3
InChIKeyCLUIKMZWXIJEGL-UHFFFAOYSA-N
XLogP3.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719
2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
4-ethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 122262717
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122262689
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 122263139
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53090292
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737979

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide (CID 122262639) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide is COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(C)cc3C)ncn2)cc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is CLUIKMZWXIJEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-4-9-20(15(2)10-14)27(24,25)23-12-17-11-19(22-13-21-17)16-5-7-18(26-3)8-6-16/h4-11,13,23H,12H2,1-3H3.
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 122262639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).