[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide

C15H17N4O3S- — CID 5061548

IUPAC[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-15(2,3)13(20)18-11-5-7-12(8-6-11)23(21,22)19-14-16-9-4-10-17-14/h4-10H,1-3H3,(H2,16,17,18,19,20)/p-1
InChIKeyFDSIEUNEWVHHIC-UHFFFAOYSA-M
MW333.39 g/mol
LogP2.86
Rot. Bonds4

About [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide

[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide (PubChem CID 5061548) has the molecular formula C15H17N4O3S- and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide.

Molecular Properties

Compound Name[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
PubChem CID5061548
Molecular FormulaC15H17N4O3S-
Molecular Weight333.39 g/mol
Exact Mass333.10
IUPAC Name[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-15(2,3)13(20)18-11-5-7-12(8-6-11)23(21,22)19-14-16-9-4-10-17-14/h4-10H,1-3H3,(H2,16,17,18,19,20)/p-1
InChIKeyFDSIEUNEWVHHIC-UHFFFAOYSA-M
XLogP2.86
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5209976
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554
[4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 2426028
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 123487385
silver [4-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 10816844
2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 9356429
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
[4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 168565056
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
2-amino-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 61264590

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide?
The IUPAC name of [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide (CID 5061548) is [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide.
What is the SMILES notation for [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide?
The canonical SMILES for [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide is CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.
What is the InChIKey of [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide?
The InChIKey is FDSIEUNEWVHHIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N4O3S/c1-15(2,3)13(20)18-11-5-7-12(8-6-11)23(21,22)19-14-16-9-4-10-17-14/h4-10H,1-3H3,(H2,16,17,18,19,20)/p-1.
What are the key properties of [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide?
[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide has a molecular weight of 333.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide is sourced from PubChem (CID 5061548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).