4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C15H13FN2O2S — CID 22588834

IUPAC4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)N(Cc1ccc(F)cc1)C=NS2(=O)=O
InChIInChI=1S/C15H13FN2O2S/c1-11-2-7-15-14(8-11)18(10-17-21(15,19)20)9-12-3-5-13(16)6-4-12/h2-8,10H,9H2,1H3
InChIKeyCVFZOTFKQSPLPW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.87
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 22588834) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID22588834
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESCc1ccc2c(c1)N(Cc1ccc(F)cc1)C=NS2(=O)=O
InChIInChI=1S/C15H13FN2O2S/c1-11-2-7-15-14(8-11)18(10-17-21(15,19)20)9-12-3-5-13(16)6-4-12/h2-8,10H,9H2,1H3
InChIKeyCVFZOTFKQSPLPW-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 22588834) is 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccc2c(c1)N(Cc1ccc(F)cc1)C=NS2(=O)=O.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is CVFZOTFKQSPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-11-2-7-15-14(8-11)18(10-17-21(15,19)20)9-12-3-5-13(16)6-4-12/h2-8,10H,9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?
4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 304.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-6-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 22588834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).