N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide

C14H15N5O3S — CID 9055811

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
SMILESCc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C14H15N5O3S/c1-8-5-9(2)16-14(15-8)18-19-23(21,22)11-3-4-12-10(6-11)7-13(20)17-12/h3-6,19H,7H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyOBMRELNFHDLMAZ-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.89
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide (PubChem CID 9055811) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
PubChem CID9055811
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
SMILESCc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C14H15N5O3S/c1-8-5-9(2)16-14(15-8)18-19-23(21,22)11-3-4-12-10(6-11)7-13(20)17-12/h3-6,19H,7H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyOBMRELNFHDLMAZ-UHFFFAOYSA-N
XLogP0.89
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]acetohydrazide
CID 7667480
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110716719
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872393
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide (CID 9055811) is N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide is Cc1cc(C)nc(NNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide?
The InChIKey is OBMRELNFHDLMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-8-5-9(2)16-14(15-8)18-19-23(21,22)11-3-4-12-10(6-11)7-13(20)17-12/h3-6,19H,7H2,1-2H3,(H,17,20)(H,15,16,18).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide has a molecular weight of 333.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide is sourced from PubChem (CID 9055811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).