3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide

C14H18N4O2S — CID 107405715

IUPAC3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C14H18N4O2S/c1-3-10-8-12(15)11(4-2)13(9-10)21(19,20)18-14-16-6-5-7-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyIKFYGUCNLFMRSQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide

3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 107405715) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID107405715
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2ncccn2)c1
InChIInChI=1S/C14H18N4O2S/c1-3-10-8-12(15)11(4-2)13(9-10)21(19,20)18-14-16-6-5-7-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyIKFYGUCNLFMRSQ-UHFFFAOYSA-N
XLogP1.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.98
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

3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
CID 107405576
3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 107406911
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 107407018
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 107405715) is 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)Nc2ncccn2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is IKFYGUCNLFMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-10-8-12(15)11(4-2)13(9-10)21(19,20)18-14-16-6-5-7-17-14/h5-9H,3-4,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide?
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 107405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).