N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide

C10H14FN3O2S — CID 62664626

IUPACN-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c11-8-5-10(7-12-6-8)17(15,16)14-4-3-13-9-1-2-9/h5-7,9,13-14H,1-4H2
InChIKeyYFKFXJWKKLZGDI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.25
Rot. Bonds6

About N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide

N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide (PubChem CID 62664626) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
PubChem CID62664626
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC NameN-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1cncc(F)c1
InChIInChI=1S/C10H14FN3O2S/c11-8-5-10(7-12-6-8)17(15,16)14-4-3-13-9-1-2-9/h5-7,9,13-14H,1-4H2
InChIKeyYFKFXJWKKLZGDI-UHFFFAOYSA-N
XLogP0.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromocyclohexyl)methyl]-5-fluoropyridine-3-sulfonamide
CID 106136168
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 55100399
5-fluoro-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 80563217
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
N-(3-chloro-4-methoxybutyl)-5-fluoropyridine-3-sulfonamide
CID 106245517
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide (CID 62664626) is N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide is O=S(=O)(NCCNC1CC1)c1cncc(F)c1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide?
The InChIKey is YFKFXJWKKLZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-8-5-10(7-12-6-8)17(15,16)14-4-3-13-9-1-2-9/h5-7,9,13-14H,1-4H2.
What are the key properties of N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide?
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide has a molecular weight of 259.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 62664626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).