N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9ClFN5OS — CID 2352686

IUPACN-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyLTGLKVDLNODPNM-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.73
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2352686) has the molecular formula C10H9ClFN5OS and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2352686
Molecular FormulaC10H9ClFN5OS
Molecular Weight301.73 g/mol
Exact Mass301.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyLTGLKVDLNODPNM-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(2,6-dichlorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 901004
3-(4-chlorophenyl)-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 5524537
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
N-(3-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452353

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2352686) is N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LTGLKVDLNODPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 301.73 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2352686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).