N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide

C18H19N7O3S — CID 19150636

IUPACN'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N7O3S/c1-12-7-9-14(10-8-12)29(27,28)25-23-17-15(19)16(20-11-21-17)22-24-18(26)13-5-3-2-4-6-13/h2-11,25H,19H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyOGAJJYFXYYLFAG-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.43
Rot. Bonds7

About N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide (PubChem CID 19150636) has the molecular formula C18H19N7O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
PubChem CID19150636
Molecular FormulaC18H19N7O3S
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC NameN'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N7O3S/c1-12-7-9-14(10-8-12)29(27,28)25-23-17-15(19)16(20-11-21-17)22-24-18(26)13-5-3-2-4-6-13/h2-11,25H,19H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyOGAJJYFXYYLFAG-UHFFFAOYSA-N
XLogP1.43
TPSA151.13 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151296
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374
N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 19152106
N'-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19144510
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22540338
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19137000
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
N'-[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide (CID 19150636) is N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide?
The InChIKey is OGAJJYFXYYLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S/c1-12-7-9-14(10-8-12)29(27,28)25-23-17-15(19)16(20-11-21-17)22-24-18(26)13-5-3-2-4-6-13/h2-11,25H,19H2,1H3,(H,24,26)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide has a molecular weight of 413.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19150636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).