N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride

C14H19ClFN3O3S — CID 69323125

IUPACN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C2=NOC3(CCNCC3)C2)cc1F.Cl
InChIInChI=1S/C14H18FN3O3S.ClH/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14;/h2-3,8,16,18H,4-7,9H2,1H3;1H
InChIKeyISRORVGBTFIBGL-UHFFFAOYSA-N
MW363.84 g/mol
LogP1.87
Rot. Bonds3

About N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride

N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 69323125) has the molecular formula C14H19ClFN3O3S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride
PubChem CID69323125
Molecular FormulaC14H19ClFN3O3S
Molecular Weight363.84 g/mol
Exact Mass363.08
IUPAC NameN-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C2=NOC3(CCNCC3)C2)cc1F.Cl
InChIInChI=1S/C14H18FN3O3S.ClH/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14;/h2-3,8,16,18H,4-7,9H2,1H3;1H
InChIKeyISRORVGBTFIBGL-UHFFFAOYSA-N
XLogP1.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride (CID 69323125) is N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc(C2=NOC3(CCNCC3)C2)cc1F.Cl.
What is the InChIKey of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is ISRORVGBTFIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S.ClH/c1-22(19,20)18-12-3-2-10(8-11(12)15)13-9-14(21-17-13)4-6-16-7-5-14;/h2-3,8,16,18H,4-7,9H2,1H3;1H.
What are the key properties of N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride?
N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 69323125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).