2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide

C20H16FNO3S — CID 134153067

IUPAC2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1
InChIInChI=1S/C20H16FNO3S/c1-14-6-2-4-8-19(14)25-18-11-16(21)10-17(12-18)22-13-15-7-3-5-9-20(15)26(22,23)24/h2-12H,13H2,1H3
InChIKeyXKGJKRRDGPTDQE-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.64
Rot. Bonds3

About 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide

2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 134153067) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID134153067
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide
SMILESCc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1
InChIInChI=1S/C20H16FNO3S/c1-14-6-2-4-8-19(14)25-18-11-16(21)10-17(12-18)22-13-15-7-3-5-9-20(15)26(22,23)24/h2-12H,13H2,1H3
InChIKeyXKGJKRRDGPTDQE-UHFFFAOYSA-N
XLogP4.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide (CID 134153067) is 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide is Cc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1.
What is the InChIKey of 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is XKGJKRRDGPTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-14-6-2-4-8-19(14)25-18-11-16(21)10-17(12-18)22-13-15-7-3-5-9-20(15)26(22,23)24/h2-12H,13H2,1H3.
What are the key properties of 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide?
2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 369.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(2-methylphenoxy)phenyl]-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134153067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).