N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H12ClN5OS — CID 738629

IUPACN-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5OS/c16-11-6-8-12(9-7-11)17-14(22)10-23-15-18-19-20-21(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22)
InChIKeyZMKCYYVZGKAMSA-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.05
Rot. Bonds5

About N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 738629) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID738629
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC NameN-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5OS/c16-11-6-8-12(9-7-11)17-14(22)10-23-15-18-19-20-21(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22)
InChIKeyZMKCYYVZGKAMSA-UHFFFAOYSA-N
XLogP3.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150608
2-[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide
CID 1292029
4-[2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2610084
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
2-((1-(2-chlorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
CID 4870439
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275035

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 738629) is N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZMKCYYVZGKAMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c16-11-6-8-12(9-7-11)17-14(22)10-23-15-18-19-20-21(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,22).
What are the key properties of N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 345.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 738629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).