4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone

C16H20N4O3S — CID 139196182

IUPAC4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1.O=C1CCCC1
InChIInChI=1S/C11H12N4O2S.C5H8O/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;6-5-3-1-2-4-5/h2-7H,12H2,1H3,(H,13,14,15);1-4H2
InChIKeySANCZWBTFZKJRF-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.30
Rot. Bonds3

About 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone

4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone (PubChem CID 139196182) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone.

Molecular Properties

Compound Name4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
PubChem CID139196182
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
SMILESCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1.O=C1CCCC1
InChIInChI=1S/C11H12N4O2S.C5H8O/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;6-5-3-1-2-4-5/h2-7H,12H2,1H3,(H,13,14,15);1-4H2
InChIKeySANCZWBTFZKJRF-UHFFFAOYSA-N
XLogP2.30
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 23412051
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 174806035
(3S,6S)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 98161355
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone?
The IUPAC name of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone (CID 139196182) is 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone.
What is the SMILES notation for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone?
The canonical SMILES for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone is Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1.O=C1CCCC1.
What is the InChIKey of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone?
The InChIKey is SANCZWBTFZKJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S.C5H8O/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;6-5-3-1-2-4-5/h2-7H,12H2,1H3,(H,13,14,15);1-4H2.
What are the key properties of 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone?
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone has a molecular weight of 348.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone is sourced from PubChem (CID 139196182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).