1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide

C23H16FN7O3S — CID 21366454

IUPAC1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)nc1
InChIInChI=1S/C23H16FN7O3S/c24-18-11-14-5-1-2-6-15(14)12-19(18)31-22(28-29-30-31)23(32)27-21-10-9-16(13-26-21)17-7-3-4-8-20(17)35(25,33)34/h1-13H,(H2,25,33,34)(H,26,27,32)
InChIKeyFNKVUSRVDNQHFY-UHFFFAOYSA-N
MW489.49 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide

1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide (PubChem CID 21366454) has the molecular formula C23H16FN7O3S and a molecular weight of 489.49 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide
PubChem CID21366454
Molecular FormulaC23H16FN7O3S
Molecular Weight489.49 g/mol
Exact Mass489.10
IUPAC Name1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)nc1
InChIInChI=1S/C23H16FN7O3S/c24-18-11-14-5-1-2-6-15(14)12-19(18)31-22(28-29-30-31)23(32)27-21-10-9-16(13-26-21)17-7-3-4-8-20(17)35(25,33)34/h1-13H,(H2,25,33,34)(H,26,27,32)
InChIKeyFNKVUSRVDNQHFY-UHFFFAOYSA-N
XLogP2.92
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide (CID 21366454) is 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)nc1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide?
The InChIKey is FNKVUSRVDNQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O3S/c24-18-11-14-5-1-2-6-15(14)12-19(18)31-22(28-29-30-31)23(32)27-21-10-9-16(13-26-21)17-7-3-4-8-20(17)35(25,33)34/h1-13H,(H2,25,33,34)(H,26,27,32).
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide?
1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).