N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide

C14H17N3O3S — CID 22202469

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H17N3O3S/c1-4-20-12-5-7-13(8-6-12)21(18,19)17-14-15-10(2)9-11(3)16-14/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyQTBMMHKKZPBMOF-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.29
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide (PubChem CID 22202469) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
PubChem CID22202469
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H17N3O3S/c1-4-20-12-5-7-13(8-6-12)21(18,19)17-14-15-10(2)9-11(3)16-14/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyQTBMMHKKZPBMOF-UHFFFAOYSA-N
XLogP2.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
(E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227386
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
4-(diethylphosphorylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 134111248

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide (CID 22202469) is N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is QTBMMHKKZPBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-20-12-5-7-13(8-6-12)21(18,19)17-14-15-10(2)9-11(3)16-14/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22202469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).