2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide

C12H15N5O2S — CID 61328911

IUPAC2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C12H15N5O2S/c1-9-2-4-10(5-3-9)6-16-20(18,19)11-7-14-12(17-13)15-8-11/h2-5,7-8,16H,6,13H2,1H3,(H,14,15,17)
InChIKeyMWARRPGGRDTDNB-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.55
Rot. Bonds5

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

2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide (PubChem CID 61328911) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
PubChem CID61328911
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1
InChIInChI=1S/C12H15N5O2S/c1-9-2-4-10(5-3-9)6-16-20(18,19)11-7-14-12(17-13)15-8-11/h2-5,7-8,16H,6,13H2,1H3,(H,14,15,17)
InChIKeyMWARRPGGRDTDNB-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
2-hydrazinyl-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 61329110
5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 82055523
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244262
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328716
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide (CID 61328911) is 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cnc(NN)nc2)cc1.
What is the InChIKey of 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is MWARRPGGRDTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-9-2-4-10(5-3-9)6-16-20(18,19)11-7-14-12(17-13)15-8-11/h2-5,7-8,16H,6,13H2,1H3,(H,14,15,17).
What are the key properties of 2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide?
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.55, 5 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)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61328911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).