5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

C18H12ClN5O2S — CID 167835542

IUPAC5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H12ClN5O2S/c19-12-3-7-14(8-4-12)27-16-10-9-15(26-16)18(25)20-13-5-1-11(2-6-13)17-21-23-24-22-17/h1-10H,(H,20,25)(H,21,22,23,24)
InChIKeyFODLHZIMIDUUOG-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.52
Rot. Bonds5

About 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 167835542) has the molecular formula C18H12ClN5O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID167835542
Molecular FormulaC18H12ClN5O2S
Molecular Weight397.85 g/mol
Exact Mass397.04
IUPAC Name5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H12ClN5O2S/c19-12-3-7-14(8-4-12)27-16-10-9-15(26-16)18(25)20-13-5-1-11(2-6-13)17-21-23-24-22-17/h1-10H,(H,20,25)(H,21,22,23,24)
InChIKeyFODLHZIMIDUUOG-UHFFFAOYSA-N
XLogP4.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (CID 167835542) is 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is FODLHZIMIDUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2S/c19-12-3-7-14(8-4-12)27-16-10-9-15(26-16)18(25)20-13-5-1-11(2-6-13)17-21-23-24-22-17/h1-10H,(H,20,25)(H,21,22,23,24).
What are the key properties of 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 397.85 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 167835542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).