N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide

C15H11ClFN5OS — CID 17470876

IUPACN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(Cl)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C15H11ClFN5OS/c16-10-1-6-14(24-12-4-2-11(17)3-5-12)13(7-10)19-15(23)8-22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23)
InChIKeyQLIPQLOPSYGLQG-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.26
Rot. Bonds5

About N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide

N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 17470876) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID17470876
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC NameN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(Cl)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C15H11ClFN5OS/c16-10-1-6-14(24-12-4-2-11(17)3-5-12)13(7-10)19-15(23)8-22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23)
InChIKeyQLIPQLOPSYGLQG-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 52896191
N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
CID 94801495
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
2,4-difluoro-N'-[2-(tetrazol-1-yl)acetyl]benzohydrazide
CID 670449
N-(4,5-dichloro-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 75448206
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-(tetrazol-1-yl)acetamide
CID 75377049
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890200

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide (CID 17470876) is N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cc(Cl)ccc1Sc1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QLIPQLOPSYGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c16-10-1-6-14(24-12-4-2-11(17)3-5-12)13(7-10)19-15(23)8-22-9-18-20-21-22/h1-7,9H,8H2,(H,19,23).
What are the key properties of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide?
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 363.81 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 17470876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).