2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide

C11H13N5O3S — CID 113397796

IUPAC2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2ccc(CO)cc2)cn1
InChIInChI=1S/C11H13N5O3S/c12-15-11-13-5-10(6-14-11)20(18,19)16-9-3-1-8(7-17)2-4-9/h1-6,16-17H,7,12H2,(H,13,14,15)
InChIKeyAPTRNKDGBVMHRH-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.06
Rot. Bonds5

About 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide

2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide (PubChem CID 113397796) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
PubChem CID113397796
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)Nc2ccc(CO)cc2)cn1
InChIInChI=1S/C11H13N5O3S/c12-15-11-13-5-10(6-14-11)20(18,19)16-9-3-1-8(7-17)2-4-9/h1-6,16-17H,7,12H2,(H,13,14,15)
InChIKeyAPTRNKDGBVMHRH-UHFFFAOYSA-N
XLogP0.06
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2-hydrazinyl-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 61328332
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
CID 62142790
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328716
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide (CID 113397796) is 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)Nc2ccc(CO)cc2)cn1.
What is the InChIKey of 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
The InChIKey is APTRNKDGBVMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c12-15-11-13-5-10(6-14-11)20(18,19)16-9-3-1-8(7-17)2-4-9/h1-6,16-17H,7,12H2,(H,13,14,15).
What are the key properties of 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide?
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide has a molecular weight of 295.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 113397796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).