2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide

C21H13FN6OS — CID 55812092

IUPAC2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C21H13FN6OS/c22-17-10-9-15(28-13-24-26-27-28)11-18(17)25-21(29)16-6-2-4-8-20(16)30-19-7-3-1-5-14(19)12-23/h1-11,13H,(H,25,29)
InChIKeyRXUCBLFTJOPKJZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 55812092) has the molecular formula C21H13FN6OS and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID55812092
Molecular FormulaC21H13FN6OS
Molecular Weight416.44 g/mol
Exact Mass416.09
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C21H13FN6OS/c22-17-10-9-15(28-13-24-26-27-28)11-18(17)25-21(29)16-6-2-4-8-20(16)30-19-7-3-1-5-14(19)12-23/h1-11,13H,(H,25,29)
InChIKeyRXUCBLFTJOPKJZ-UHFFFAOYSA-N
XLogP4.08
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
CID 51090537
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169338208
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide (CID 55812092) is 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is RXUCBLFTJOPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6OS/c22-17-10-9-15(28-13-24-26-27-28)11-18(17)25-21(29)16-6-2-4-8-20(16)30-19-7-3-1-5-14(19)12-23/h1-11,13H,(H,25,29).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 416.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55812092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).