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

C16H13FN2O3S2 — CID 18573240

IUPAC2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C16H13FN2O3S2/c1-19-13-4-2-3-5-14(13)23-16(19)18-15(20)10-24(21,22)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3/b18-16-
InChIKeyHVNNVRFYGIHPSC-VLGSPTGOSA-N
MW364.42 g/mol
LogP2.28
Rot. Bonds3

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

2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 18573240) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID18573240
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C16H13FN2O3S2/c1-19-13-4-2-3-5-14(13)23-16(19)18-15(20)10-24(21,22)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3/b18-16-
InChIKeyHVNNVRFYGIHPSC-VLGSPTGOSA-N
XLogP2.28
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 18573240) is 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is HVNNVRFYGIHPSC-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-19-13-4-2-3-5-14(13)23-16(19)18-15(20)10-24(21,22)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3/b18-16-.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 364.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 18573240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).