N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide

C13H15N3O3S — CID 91968392

IUPACN-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C)cc2C)cn1
InChIInChI=1S/C13H15N3O3S/c1-9-4-5-12(10(2)6-9)20(17,18)16-11-7-14-13(19-3)15-8-11/h4-8,16H,1-3H3
InChIKeyVGKXKPOVJFOFPX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.90
Rot. Bonds4

About N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide

N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 91968392) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID91968392
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C)cc2C)cn1
InChIInChI=1S/C13H15N3O3S/c1-9-4-5-12(10(2)6-9)20(17,18)16-11-7-14-13(19-3)15-8-11/h4-8,16H,1-3H3
InChIKeyVGKXKPOVJFOFPX-UHFFFAOYSA-N
XLogP1.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
CID 166435638
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301745
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 66714010
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide (CID 91968392) is N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is VGKXKPOVJFOFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-4-5-12(10(2)6-9)20(17,18)16-11-7-14-13(19-3)15-8-11/h4-8,16H,1-3H3.
What are the key properties of N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide?
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 91968392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).