4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

C15H12FN5OS — CID 661053

IUPAC4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)
InChIKeySTKRHDHWGOTREV-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.19
Rot. Bonds5

About 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (PubChem CID 661053) has the molecular formula C15H12FN5OS and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
PubChem CID661053
Molecular FormulaC15H12FN5OS
Molecular Weight329.36 g/mol
Exact Mass329.07
IUPAC Name4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H12FN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22)
InChIKeySTKRHDHWGOTREV-UHFFFAOYSA-N
XLogP2.19
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
4-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1330757
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
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
1-(4-fluorobenzoyl)-3-[(1-phenyl-1H-tetrazol-5-yl)thio]-2-azepanone
CID 2909103
2-cyano-N-[4-[[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]carbamoyl]phenyl]acetamide
CID 4856320
1-(4-Fluorophenyl)-4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbutan-1-one
CID 4879689
N'-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide
CID 5695514
4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)-3-methylbenzamide
CID 15956702

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (CID 661053) is 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The InChIKey is STKRHDHWGOTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5OS/c16-12-5-1-10(2-6-12)9-23-15-18-19-20-21(15)13-7-3-11(4-8-13)14(17)22/h1-8H,9H2,(H2,17,22).
What are the key properties of 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is sourced from PubChem (CID 661053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).