4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide

C16H13FN6O2S — CID 1330757

IUPAC4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN6O2S/c17-12-3-1-2-4-13(12)19-14(24)9-26-16-20-21-22-23(16)11-7-5-10(6-8-11)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKeyGXRLWAAFJNSHHQ-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.63
Rot. Bonds6

About 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide

4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide (PubChem CID 1330757) has the molecular formula C16H13FN6O2S and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
PubChem CID1330757
Molecular FormulaC16H13FN6O2S
Molecular Weight372.39 g/mol
Exact Mass372.08
IUPAC Name4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN6O2S/c17-12-3-1-2-4-13(12)19-14(24)9-26-16-20-21-22-23(16)11-7-5-10(6-8-11)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKeyGXRLWAAFJNSHHQ-UHFFFAOYSA-N
XLogP1.63
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Phenyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 692687
4-{5-[(2-methylbenzyl)thio]-1H-tetrazol-1-yl}benzamide
CID 797522
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
3-chloro-4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)benzamide
CID 15956048
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
4-[5-[(4-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 661053
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-(4-methylphenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzamide
CID 851613
N-(2-fluorophenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}benzamide
CID 977269
4-[5-[2-Oxo-2-(2-phenylanilino)ethyl]sulfanyltetrazol-1-yl]benzamide
CID 1017548
N-(3-{5-[2-(3,4-Dimethyl-phenyl)-2-oxo-ethylsulfanyl]-tetrazol-1-yl}-phenyl)-propionamide
CID 1455224

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide (CID 1330757) is 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide?
The InChIKey is GXRLWAAFJNSHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2S/c17-12-3-1-2-4-13(12)19-14(24)9-26-16-20-21-22-23(16)11-7-5-10(6-8-11)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24).
What are the key properties of 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide?
4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide has a molecular weight of 372.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide is sourced from PubChem (CID 1330757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).