3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide

C15H18ClN3O4S — CID 122356165

IUPAC3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1nc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)n1
InChIInChI=1S/C15H18ClN3O4S/c1-5-23-15-17-9(2)14(10(3)18-15)19-24(20,21)11-6-7-13(22-4)12(16)8-11/h6-8,19H,5H2,1-4H3
InChIKeyBUJVAPSTYIIQMF-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.95
Rot. Bonds6

About 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 122356165) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
PubChem CID122356165
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1nc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)n1
InChIInChI=1S/C15H18ClN3O4S/c1-5-23-15-17-9(2)14(10(3)18-15)19-24(20,21)11-6-7-13(22-4)12(16)8-11/h6-8,19H,5H2,1-4H3
InChIKeyBUJVAPSTYIIQMF-UHFFFAOYSA-N
XLogP2.95
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide
CID 121137078
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-[4-[(2-ethoxy-4,6-dimethylpyrimidin-5-yl)sulfamoyl]phenyl]acetamide
CID 122355933
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122356193
3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
CID 75458372
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide (CID 122356165) is 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide is CCOc1nc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)n1.
What is the InChIKey of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is BUJVAPSTYIIQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-5-23-15-17-9(2)14(10(3)18-15)19-24(20,21)11-6-7-13(22-4)12(16)8-11/h6-8,19H,5H2,1-4H3.
What are the key properties of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122356165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).