2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide

C11H13N5O2S — CID 61329110

IUPAC2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C11H13N5O2S/c1-8-2-4-9(5-3-8)16-19(17,18)10-6-13-11(15-12)14-7-10/h2-7,16H,12H2,1H3,(H,13,14,15)
InChIKeyYWSFNCGGMVXPGN-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.87
Rot. Bonds4

About 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide (PubChem CID 61329110) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
PubChem CID61329110
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C11H13N5O2S/c1-8-2-4-9(5-3-8)16-19(17,18)10-6-13-11(15-12)14-7-10/h2-7,16H,12H2,1H3,(H,13,14,15)
InChIKeyYWSFNCGGMVXPGN-UHFFFAOYSA-N
XLogP0.87
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.87
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

2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
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
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
6-amino-5-methyl-N-(4-methylphenyl)pyridine-3-sulfonamide
CID 98020919
N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 65436383
2-hydrazinyl-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 61328332
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide (CID 61329110) is 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(NN)nc2)cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is YWSFNCGGMVXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-8-2-4-9(5-3-8)16-19(17,18)10-6-13-11(15-12)14-7-10/h2-7,16H,12H2,1H3,(H,13,14,15).
What are the key properties of 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 279.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61329110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).