N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C19H13ClFN5OS — CID 5275094

IUPACN-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1cccc(Cl)c1F
InChIInChI=1S/C19H13ClFN5OS/c20-14-8-4-9-15(18(14)21)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27)
InChIKeyXLCICKIXWKNKPX-UHFFFAOYSA-N
MW413.87 g/mol
LogP4.34
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275094) has the molecular formula C19H13ClFN5OS and a molecular weight of 413.87 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275094
Molecular FormulaC19H13ClFN5OS
Molecular Weight413.87 g/mol
Exact Mass413.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1cccc(Cl)c1F
InChIInChI=1S/C19H13ClFN5OS/c20-14-8-4-9-15(18(14)21)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27)
InChIKeyXLCICKIXWKNKPX-UHFFFAOYSA-N
XLogP4.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1251070
N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1015987
Cambridge id 6271872
CID 1115195
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide
CID 1182715
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1132116
2-{[1-(3-chlorophenyl)-1H-tetrazol-5-yl]thio}-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2275014
N-(2-fluorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 1116753
N-(3-chloro-4-fluorophenyl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 1187967
2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-N-phenyl-acetamide
CID 2265468
2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(o-tolyl)acetamide
CID 16649455

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275094) is N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XLCICKIXWKNKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5OS/c20-14-8-4-9-15(18(14)21)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 413.87 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).