5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide

C14H18N4O2S — CID 43256532

IUPAC5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H18N4O2S/c1-4-11-5-6-12(15)8-13(11)21(19,20)18-14-16-9(2)7-10(3)17-14/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyUWXIMKDHAFZZFQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.04
Rot. Bonds4

About 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide

5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide (PubChem CID 43256532) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
PubChem CID43256532
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C14H18N4O2S/c1-4-11-5-6-12(15)8-13(11)21(19,20)18-14-16-9(2)7-10(3)17-14/h5-8H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyUWXIMKDHAFZZFQ-UHFFFAOYSA-N
XLogP2.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-2-ethyl-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 43256631
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126239
5-amino-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide (CID 43256532) is 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
The InChIKey is UWXIMKDHAFZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-11-5-6-12(15)8-13(11)21(19,20)18-14-16-9(2)7-10(3)17-14/h5-8H,4,15H2,1-3H3,(H,16,17,18).
What are the key properties of 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide?
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 43256532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).