N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C16H14ClN5OS — CID 992154

IUPACN-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS/c17-12-6-8-13(9-7-12)18-15(23)10-11-24-16-19-20-21-22(16)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23)
InChIKeyIIMUHTAUBLCYCM-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.44
Rot. Bonds6

About N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 992154) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID992154
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS/c17-12-6-8-13(9-7-12)18-15(23)10-11-24-16-19-20-21-22(16)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23)
InChIKeyIIMUHTAUBLCYCM-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 992154) is N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is O=C(CCSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is IIMUHTAUBLCYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c17-12-6-8-13(9-7-12)18-15(23)10-11-24-16-19-20-21-22(16)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23).
What are the key properties of N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 359.84 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 992154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).