2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C16H13ClFN5OS — CID 2987461

IUPAC2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H13ClFN5OS/c1-10-2-7-13(8-14(10)17)23-16(20-21-22-23)25-9-15(24)19-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,24)
InChIKeySMUQIJNRWKLAIS-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 2987461) has the molecular formula C16H13ClFN5OS and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID2987461
Molecular FormulaC16H13ClFN5OS
Molecular Weight377.83 g/mol
Exact Mass377.05
IUPAC Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C16H13ClFN5OS/c1-10-2-7-13(8-14(10)17)23-16(20-21-22-23)25-9-15(24)19-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,24)
InChIKeySMUQIJNRWKLAIS-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-[4-(3-amino-3-methyl-but-1-ynyl)-2-chloro-phenyl]-2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 16077891
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide
CID 1292029
2-[1-(3-chloro-2-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275044
N-(2-chlorobenzyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 8035321
N-(2-chloro-4-nitro-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11654944
2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-ethynyl-phenyl)acetamide
CID 16077916
2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 44426018
2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 44426019

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 2987461) is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is SMUQIJNRWKLAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5OS/c1-10-2-7-13(8-14(10)17)23-16(20-21-22-23)25-9-15(24)19-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 377.83 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2987461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).