N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide

C16H22N4O3S — CID 91968536

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
InChIInChI=1S/C16H22N4O3S/c1-10-9-13(7-8-14(10)23-6)24(21,22)19-15-11(2)17-16(20(4)5)18-12(15)3/h7-9,19H,1-6H3
InChIKeyUXRKSNDLAZIJFN-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 91968536) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID91968536
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C
InChIInChI=1S/C16H22N4O3S/c1-10-9-13(7-8-14(10)23-6)24(21,22)19-15-11(2)17-16(20(4)5)18-12(15)3/h7-9,19H,1-6H3
InChIKeyUXRKSNDLAZIJFN-UHFFFAOYSA-N
XLogP2.28
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 28690712
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide (CID 91968536) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is UXRKSNDLAZIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10-9-13(7-8-14(10)23-6)24(21,22)19-15-11(2)17-16(20(4)5)18-12(15)3/h7-9,19H,1-6H3.
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 91968536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).