N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H15ClFN5OS — CID 8976822

IUPACN-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H15ClFN5OS/c1-10-3-5-13(7-11(10)2)24-17(21-22-23-24)26-9-16(25)20-15-6-4-12(19)8-14(15)18/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyJXNIUHDTSCZLPJ-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.80
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8976822) has the molecular formula C17H15ClFN5OS and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8976822
Molecular FormulaC17H15ClFN5OS
Molecular Weight391.86 g/mol
Exact Mass391.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C17H15ClFN5OS/c1-10-3-5-13(7-11(10)2)24-17(21-22-23-24)26-9-16(25)20-15-6-4-12(19)8-14(15)18/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyJXNIUHDTSCZLPJ-UHFFFAOYSA-N
XLogP3.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804256
N-(2-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2714902
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7474172
N-(3,5-dichloro-2-pyridinyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26651016
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7455421
N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5275184
N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5001516
N-(4-bromo-2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571050
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8976822) is N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2Cl)cc1C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JXNIUHDTSCZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5OS/c1-10-3-5-13(7-11(10)2)24-17(21-22-23-24)26-9-16(25)20-15-6-4-12(19)8-14(15)18/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 391.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8976822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).