8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide

C17H14FN3O2S — CID 136928010

IUPAC8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCn2ncc(-c3ccc(-c4ccccc4)c(F)c3)c2N1
InChIInChI=1S/C17H14FN3O2S/c18-16-10-13(6-7-14(16)12-4-2-1-3-5-12)15-11-19-21-8-9-24(22,23)20-17(15)21/h1-7,10-11,20H,8-9H2
InChIKeyKFYFOFQRQBPTLA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.11
Rot. Bonds2

About 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide

8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 136928010) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID136928010
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCn2ncc(-c3ccc(-c4ccccc4)c(F)c3)c2N1
InChIInChI=1S/C17H14FN3O2S/c18-16-10-13(6-7-14(16)12-4-2-1-3-5-12)15-11-19-21-8-9-24(22,23)20-17(15)21/h1-7,10-11,20H,8-9H2
InChIKeyKFYFOFQRQBPTLA-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide with MolForge

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Related Compounds

2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 3813795
3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 3809150
N-(4-Cyano-2-ethylpyrazol-3-YL)-1-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 86817931
N-(2-ethyl-4-methylpyrazol-3-yl)-2-(3-fluorophenyl)ethanesulfonamide
CID 138021246
N-[1-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67644997
N-[1-benzyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645019
N-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]benzenesulfonamide
CID 67645845
N-[1-ethyl-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645855
N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645996
N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67646018
N-[1-(cyanomethyl)-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
CID 67646064
N-[4-(3-fluoro-4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 67646068

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide (CID 136928010) is 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide is O=S1(=O)CCn2ncc(-c3ccc(-c4ccccc4)c(F)c3)c2N1.
What is the InChIKey of 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is KFYFOFQRQBPTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-16-10-13(6-7-14(16)12-4-2-1-3-5-12)15-11-19-21-8-9-24(22,23)20-17(15)21/h1-7,10-11,20H,8-9H2.
What are the key properties of 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide?
8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 343.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-phenylphenyl)-3,4-dihydro-1H-pyrazolo[5,1-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 136928010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).