2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide

C7H10F3N5O2S — CID 63227725

IUPAC2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N5O2S/c8-7(9,10)1-2-14-18(16,17)5-3-12-6(15-11)13-4-5/h3-4,14H,1-2,11H2,(H,12,13,15)
InChIKeyMAPPHHYEKPJTNI-UHFFFAOYSA-N
MW285.25 g/mol
LogP-0.01
Rot. Bonds5

About 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide (PubChem CID 63227725) has the molecular formula C7H10F3N5O2S and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
PubChem CID63227725
Molecular FormulaC7H10F3N5O2S
Molecular Weight285.25 g/mol
Exact Mass285.05
IUPAC Name2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N5O2S/c8-7(9,10)1-2-14-18(16,17)5-3-12-6(15-11)13-4-5/h3-4,14H,1-2,11H2,(H,12,13,15)
InChIKeyMAPPHHYEKPJTNI-UHFFFAOYSA-N
XLogP-0.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 5-0.01
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-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide
CID 63004596
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
CID 63823602
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329687
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidine-5-sulfonamide
CID 63244262
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
2-hydrazinyl-N-[4-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 113397796

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide (CID 63227725) is 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)NCCC(F)(F)F)cn1.
What is the InChIKey of 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
The InChIKey is MAPPHHYEKPJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O2S/c8-7(9,10)1-2-14-18(16,17)5-3-12-6(15-11)13-4-5/h3-4,14H,1-2,11H2,(H,12,13,15).
What are the key properties of 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide has a molecular weight of 285.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 63227725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).