4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

C11H12N4O3S — CID 46782959

IUPAC4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILES[2H]c1c([2H])c(S(=O)(=O)Nc2ncc(OC)cn2)c([2H])c([2H])c1N
InChIInChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D
InChIKeyGPTONYMQFTZPKC-QFFDRWTDSA-N
MW284.33 g/mol
LogP0.87
Rot. Bonds4

About 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide

4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 46782959) has the molecular formula C11H12N4O3S and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID46782959
Molecular FormulaC11H12N4O3S
Molecular Weight284.33 g/mol
Exact Mass284.09
IUPAC Name4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
SMILES[2H]c1c([2H])c(S(=O)(=O)Nc2ncc(OC)cn2)c([2H])c([2H])c1N
InChIInChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D
InChIKeyGPTONYMQFTZPKC-QFFDRWTDSA-N
XLogP0.87
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.87
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-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
N-(5-methoxypyrimidin-2-yl)methanesulfonamide
CID 130651908
2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 132531856
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 169336206
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CID 71397348
N-(5-propoxypyrimidin-2-yl)benzenesulfonamide
CID 23275504
4-amino-N-(5-ethoxy-4-methoxypyrimidin-2-yl)benzenesulfonamide
CID 3616965
N-(5-methoxypyrimidin-2-yl)-4-[(3-methyl-1,4-dioxonaphthalen-2-ylidene)amino]benzenesulfonamide
CID 91447062
4-[[(2S,3R)-2,4-dihydroxy-3-[(1S)-1-hydroxy-2-oxoethoxy]butylidene]amino]-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 10094770

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (CID 46782959) is 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is [2H]c1c([2H])c(S(=O)(=O)Nc2ncc(OC)cn2)c([2H])c([2H])c1N.
What is the InChIKey of 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is GPTONYMQFTZPKC-QFFDRWTDSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D.
What are the key properties of 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide?
4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 284.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3,5,6-tetradeuterio-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 46782959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).