4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide

C13H16N4O2S — CID 24846287

IUPAC4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCC(C)c1nccc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2S/c1-9(2)13-15-8-7-12(16-13)17-20(18,19)11-5-3-10(14)4-6-11/h3-9H,14H2,1-2H3,(H,15,16,17)
InChIKeyHSYDFONUDMYGFI-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide

4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 24846287) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID24846287
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCC(C)c1nccc(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2S/c1-9(2)13-15-8-7-12(16-13)17-20(18,19)11-5-3-10(14)4-6-11/h3-9H,14H2,1-2H3,(H,15,16,17)
InChIKeyHSYDFONUDMYGFI-UHFFFAOYSA-N
XLogP1.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
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

4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
CID 131880907
CID 131880907
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide
CID 154205604
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
4-amino-N-(6-aminopyrazin-2-yl)benzenesulfonamide
CID 12626415
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide (CID 24846287) is 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide is CC(C)c1nccc(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is HSYDFONUDMYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9(2)13-15-8-7-12(16-13)17-20(18,19)11-5-3-10(14)4-6-11/h3-9H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 24846287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).