N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

C15H15N5O3S2 — CID 9115876

IUPACN'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNS(=O)(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N5O3S2/c1-10-7-11(2)18-15(17-10)24-9-14(21)19-20-25(22,23)13-5-3-12(8-16)4-6-13/h3-7,20H,9H2,1-2H3,(H,19,21)
InChIKeyAYQHCULPAIPNDI-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.07
Rot. Bonds6

About N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 9115876) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID9115876
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NNS(=O)(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H15N5O3S2/c1-10-7-11(2)18-15(17-10)24-9-14(21)19-20-25(22,23)13-5-3-12(8-16)4-6-13/h3-7,20H,9H2,1-2H3,(H,19,21)
InChIKeyAYQHCULPAIPNDI-UHFFFAOYSA-N
XLogP1.07
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51432860
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-(1-phenylethenyl)acetohydrazide
CID 5143466
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2130230
2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9243979
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
N-[3-(benzenesulfonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 134433594

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (CID 9115876) is N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is Cc1cc(C)nc(SCC(=O)NNS(=O)(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is AYQHCULPAIPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-10-7-11(2)18-15(17-10)24-9-14(21)19-20-25(22,23)13-5-3-12(8-16)4-6-13/h3-7,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 377.45 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 9115876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).