2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide

C15H10ClF2N5OS — CID 2610379

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10ClF2N5OS/c16-9-4-6-10(7-5-9)23-15(20-21-22-23)25-8-13(24)19-14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,24)
InChIKeyBMHYPPAHMLOALE-UHFFFAOYSA-N
MW381.80 g/mol
LogP3.32
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide (PubChem CID 2610379) has the molecular formula C15H10ClF2N5OS and a molecular weight of 381.80 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
PubChem CID2610379
Molecular FormulaC15H10ClF2N5OS
Molecular Weight381.80 g/mol
Exact Mass381.03
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H10ClF2N5OS/c16-9-4-6-10(7-5-9)23-15(20-21-22-23)25-8-13(24)19-14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,24)
InChIKeyBMHYPPAHMLOALE-UHFFFAOYSA-N
XLogP3.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16535769
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16535824
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-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide (CID 2610379) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1c(F)cccc1F.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide?
The InChIKey is BMHYPPAHMLOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5OS/c16-9-4-6-10(7-5-9)23-15(20-21-22-23)25-8-13(24)19-14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,24).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide has a molecular weight of 381.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2610379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).