2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide

C12H15N5O2S — CID 61328714

IUPAC2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(NN)nc1)c1ccccc1
InChIInChI=1S/C12H15N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h2-9,17H,13H2,1H3,(H,14,15,16)
InChIKeyJXDMXDOBPKPRFC-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.80
Rot. Bonds5

About 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide (PubChem CID 61328714) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
PubChem CID61328714
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(NN)nc1)c1ccccc1
InChIInChI=1S/C12H15N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h2-9,17H,13H2,1H3,(H,14,15,16)
InChIKeyJXDMXDOBPKPRFC-UHFFFAOYSA-N
XLogP0.80
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidine-5-sulfonamide
CID 61327171
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 62405635
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidine-5-sulfonamide
CID 64605702
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328716
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide (CID 61328714) is 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cnc(NN)nc1)c1ccccc1.
What is the InChIKey of 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
The InChIKey is JXDMXDOBPKPRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h2-9,17H,13H2,1H3,(H,14,15,16).
What are the key properties of 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61328714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).