4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole

C18H12FNO2S2 — CID 70682331

IUPAC4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole
SMILESCc1nc2c(S(=O)(=O)c3ccccc3)cc3cc(F)ccc3c2s1
InChIInChI=1S/C18H12FNO2S2/c1-11-20-17-16(24(21,22)14-5-3-2-4-6-14)10-12-9-13(19)7-8-15(12)18(17)23-11/h2-10H,1H3
InChIKeySOTAWLVPRDYCSD-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.73
Rot. Bonds2

About 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole

4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole (PubChem CID 70682331) has the molecular formula C18H12FNO2S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole
PubChem CID70682331
Molecular FormulaC18H12FNO2S2
Molecular Weight357.43 g/mol
Exact Mass357.03
IUPAC Name4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole
SMILESCc1nc2c(S(=O)(=O)c3ccccc3)cc3cc(F)ccc3c2s1
InChIInChI=1S/C18H12FNO2S2/c1-11-20-17-16(24(21,22)14-5-3-2-4-6-14)10-12-9-13(19)7-8-15(12)18(17)23-11/h2-10H,1H3
InChIKeySOTAWLVPRDYCSD-UHFFFAOYSA-N
XLogP4.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole?
The IUPAC name of 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole (CID 70682331) is 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole.
What is the SMILES notation for 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole?
The canonical SMILES for 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole is Cc1nc2c(S(=O)(=O)c3ccccc3)cc3cc(F)ccc3c2s1.
What is the InChIKey of 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole?
The InChIKey is SOTAWLVPRDYCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2S2/c1-11-20-17-16(24(21,22)14-5-3-2-4-6-14)10-12-9-13(19)7-8-15(12)18(17)23-11/h2-10H,1H3.
What are the key properties of 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole?
4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole has a molecular weight of 357.43 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-7-fluoro-2-methylbenzo[g][1,3]benzothiazole is sourced from PubChem (CID 70682331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).