2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C17H15FN2O4S2 — CID 18573262

IUPAC2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)CS(=O)(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C17H15FN2O4S2/c1-20-14-8-5-12(24-2)9-15(14)25-17(20)19-16(21)10-26(22,23)13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3/b19-17-
InChIKeyPAFUMAGXAUGEMS-ZPHPHTNESA-N
MW394.45 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 18573262) has the molecular formula C17H15FN2O4S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID18573262
Molecular FormulaC17H15FN2O4S2
Molecular Weight394.45 g/mol
Exact Mass394.05
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc2c(c1)s/c(=N\C(=O)CS(=O)(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C17H15FN2O4S2/c1-20-14-8-5-12(24-2)9-15(14)25-17(20)19-16(21)10-26(22,23)13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3/b19-17-
InChIKeyPAFUMAGXAUGEMS-ZPHPHTNESA-N
XLogP2.29
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 18573262) is 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is COc1ccc2c(c1)s/c(=N\C(=O)CS(=O)(=O)c1ccc(F)cc1)n2C.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is PAFUMAGXAUGEMS-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O4S2/c1-20-14-8-5-12(24-2)9-15(14)25-17(20)19-16(21)10-26(22,23)13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3/b19-17-.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 18573262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).