N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H11ClFN5OS — CID 7562846

IUPACN-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClFN5OS/c16-10-3-1-5-12(7-10)18-14(23)9-24-15-19-20-21-22(15)13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,23)
InChIKeyUQSBRKDRROEMJV-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7562846) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7562846
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC NameN-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClFN5OS/c16-10-3-1-5-12(7-10)18-14(23)9-24-15-19-20-21-22(15)13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,23)
InChIKeyUQSBRKDRROEMJV-UHFFFAOYSA-N
XLogP3.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1026931
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 3570863
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 8858281
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 9380486
N-(9-ethylcarbazol-3-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 44825224
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654
propan-2-yl 4-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 7563027
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8002425

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 7562846) is N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UQSBRKDRROEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c16-10-3-1-5-12(7-10)18-14(23)9-24-15-19-20-21-22(15)13-6-2-4-11(17)8-13/h1-8H,9H2,(H,18,23).
What are the key properties of N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 363.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7562846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).