N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide

C17H12ClFN6OS — CID 46683618

IUPACN-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESN#Cc1ccc(NC(=O)CCSc2nnnn2-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C17H12ClFN6OS/c18-15-9-13(5-4-11(15)10-20)21-16(26)6-7-27-17-22-23-24-25(17)14-3-1-2-12(19)8-14/h1-5,8-9H,6-7H2,(H,21,26)
InChIKeyBFPCULSWXRNWCK-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.45
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide

N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 46683618) has the molecular formula C17H12ClFN6OS and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID46683618
Molecular FormulaC17H12ClFN6OS
Molecular Weight402.84 g/mol
Exact Mass402.05
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESN#Cc1ccc(NC(=O)CCSc2nnnn2-c2cccc(F)c2)cc1Cl
InChIInChI=1S/C17H12ClFN6OS/c18-15-9-13(5-4-11(15)10-20)21-16(26)6-7-27-17-22-23-24-25(17)14-3-1-2-12(19)8-14/h1-5,8-9H,6-7H2,(H,21,26)
InChIKeyBFPCULSWXRNWCK-UHFFFAOYSA-N
XLogP3.45
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8859584
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 27653235
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
1-(2-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562916
propan-2-yl 4-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 7563027
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 16601908
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide (CID 46683618) is N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide is N#Cc1ccc(NC(=O)CCSc2nnnn2-c2cccc(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is BFPCULSWXRNWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6OS/c18-15-9-13(5-4-11(15)10-20)21-16(26)6-7-27-17-22-23-24-25(17)14-3-1-2-12(19)8-14/h1-5,8-9H,6-7H2,(H,21,26).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 402.84 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 46683618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).