N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride

C10H17ClFN3O2S — CID 172746934

IUPACN-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(CNN)c1F.Cl
InChIInChI=1S/C10H16FN3O2S.ClH/c1-2-6-17(15,16)14-9-5-3-4-8(7-13-12)10(9)11;/h3-5,13-14H,2,6-7,12H2,1H3;1H
InChIKeyJVTIULHXZMIPSX-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.36
Rot. Bonds6

About N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride

N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride (PubChem CID 172746934) has the molecular formula C10H17ClFN3O2S and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride
PubChem CID172746934
Molecular FormulaC10H17ClFN3O2S
Molecular Weight297.78 g/mol
Exact Mass297.07
IUPAC NameN-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1cccc(CNN)c1F.Cl
InChIInChI=1S/C10H16FN3O2S.ClH/c1-2-6-17(15,16)14-9-5-3-4-8(7-13-12)10(9)11;/h3-5,13-14H,2,6-7,12H2,1H3;1H
InChIKeyJVTIULHXZMIPSX-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride (CID 172746934) is N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)Nc1cccc(CNN)c1F.Cl.
What is the InChIKey of N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride?
The InChIKey is JVTIULHXZMIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S.ClH/c1-2-6-17(15,16)14-9-5-3-4-8(7-13-12)10(9)11;/h3-5,13-14H,2,6-7,12H2,1H3;1H.
What are the key properties of N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride?
N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride has a molecular weight of 297.78 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(hydrazinylmethyl)phenyl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 172746934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).