4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H13FN2O2S — CID 4275514

IUPAC4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2ccccc2N1Cc1cccc(F)c1
InChIInChI=1S/C15H13FN2O2S/c1-11-17-21(19,20)15-8-3-2-7-14(15)18(11)10-12-5-4-6-13(16)9-12/h2-9H,10H2,1H3
InChIKeyZYZFOCDYVUXQJW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.95
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 4275514) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID4275514
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCC1=NS(=O)(=O)c2ccccc2N1Cc1cccc(F)c1
InChIInChI=1S/C15H13FN2O2S/c1-11-17-21(19,20)15-8-3-2-7-14(15)18(11)10-12-5-4-6-13(16)9-12/h2-9H,10H2,1H3
InChIKeyZYZFOCDYVUXQJW-UHFFFAOYSA-N
XLogP2.95
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 71584278
4-[2-(4-Fluorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
CID 118710106
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
N-[2,2,2-trifluoro-1-(methylanilino)ethylidene]benzenesulfonamide
CID 11841933
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71623344
4-[1-(4-Fluorophenyl)-4,5-dihydroimidazol-2-yl]benzenesulfonamide
CID 145956347
4-(4-nitrobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2151543
3-[(1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)methyl]benzonitrile
CID 24761467
4-[(1,1-dioxido-4H-1,2,4-benzothiadiazin-4-yl)methyl]benzonitrile
CID 24792913
N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-heptylbenzenesulfonamide
CID 71583943
4-[2-(3-Fluorophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
CID 118710112

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 4275514) is 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CC1=NS(=O)(=O)c2ccccc2N1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is ZYZFOCDYVUXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-11-17-21(19,20)15-8-3-2-7-14(15)18(11)10-12-5-4-6-13(16)9-12/h2-9H,10H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 304.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-3-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 4275514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).