N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide

C16H21N3O5S — CID 122304353

IUPACN-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(OCC)n1
InChIInChI=1S/C16H21N3O5S/c1-5-23-15-13(10-17-16(18-15)24-6-2)19-25(20,21)12-7-8-14(22-4)11(3)9-12/h7-10,19H,5-6H2,1-4H3
InChIKeyLTMLVRVQEZINRT-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.39
Rot. Bonds8

About N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 122304353) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID122304353
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(OCC)n1
InChIInChI=1S/C16H21N3O5S/c1-5-23-15-13(10-17-16(18-15)24-6-2)19-25(20,21)12-7-8-14(22-4)11(3)9-12/h7-10,19H,5-6H2,1-4H3
InChIKeyLTMLVRVQEZINRT-UHFFFAOYSA-N
XLogP2.39
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
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
N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 122304353) is N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is LTMLVRVQEZINRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-5-23-15-13(10-17-16(18-15)24-6-2)19-25(20,21)12-7-8-14(22-4)11(3)9-12/h7-10,19H,5-6H2,1-4H3.
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 122304353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).