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

C21H15ClFN5OS — CID 46377540

IUPACN-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H15ClFN5OS/c22-16-5-9-18(10-6-16)24-20(29)15-3-11-19(12-4-15)28-21(25-26-27-28)30-13-14-1-7-17(23)8-2-14/h1-12H,13H2,(H,24,29)
InChIKeyVYEQZUHNYFBYRB-UHFFFAOYSA-N
MW439.90 g/mol
LogP5.00
Rot. Bonds6

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

N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (PubChem CID 46377540) has the molecular formula C21H15ClFN5OS and a molecular weight of 439.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
PubChem CID46377540
Molecular FormulaC21H15ClFN5OS
Molecular Weight439.90 g/mol
Exact Mass439.07
IUPAC NameN-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H15ClFN5OS/c22-16-5-9-18(10-6-16)24-20(29)15-3-11-19(12-4-15)28-21(25-26-27-28)30-13-14-1-7-17(23)8-2-14/h1-12H,13H2,(H,24,29)
InChIKeyVYEQZUHNYFBYRB-UHFFFAOYSA-N
XLogP5.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377534
N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377493
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-fluorobenzoate
CID 5196361
1-(4-chlorophenyl)-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]tetrazole
CID 610229
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377491
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (CID 46377540) is N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The InChIKey is VYEQZUHNYFBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5OS/c22-16-5-9-18(10-6-16)24-20(29)15-3-11-19(12-4-15)28-21(25-26-27-28)30-13-14-1-7-17(23)8-2-14/h1-12H,13H2,(H,24,29).
What are the key properties of N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide has a molecular weight of 439.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is sourced from PubChem (CID 46377540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).