N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide

C16H12Cl2FN5OS — CID 16535777

IUPACN-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H12Cl2FN5OS/c1-9(15(25)20-14-7-4-11(19)8-13(14)18)26-16-21-22-23-24(16)12-5-2-10(17)3-6-12/h2-9H,1H3,(H,20,25)
InChIKeyQMJUGFKSFOQTMG-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.23
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide

N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 16535777) has the molecular formula C16H12Cl2FN5OS and a molecular weight of 412.28 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID16535777
Molecular FormulaC16H12Cl2FN5OS
Molecular Weight412.28 g/mol
Exact Mass411.01
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H12Cl2FN5OS/c1-9(15(25)20-14-7-4-11(19)8-13(14)18)26-16-21-22-23-24(16)12-5-2-10(17)3-6-12/h2-9H,1H3,(H,20,25)
InChIKeyQMJUGFKSFOQTMG-UHFFFAOYSA-N
XLogP4.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2615777
(2R)-N-(2-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2460676
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(2-chloro-4-fluorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16537001
(2S)-N-(5-chloro-2-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462286
(2R)-N-(2,5-dichlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618637
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787
N-(2-chloro-4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804256
(2S)-N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274422
N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233864
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9272935
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7455244

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide (CID 16535777) is N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide is CC(Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is QMJUGFKSFOQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5OS/c1-9(15(25)20-14-7-4-11(19)8-13(14)18)26-16-21-22-23-24(16)12-5-2-10(17)3-6-12/h2-9H,1H3,(H,20,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 412.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 16535777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).