1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

C24H17FN6O3S — CID 21366451

IUPAC1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1
InChIInChI=1S/C24H17FN6O3S/c25-20-13-16-5-1-2-6-17(16)14-21(20)31-23(28-29-30-31)24(32)27-18-11-9-15(10-12-18)19-7-3-4-8-22(19)35(26,33)34/h1-14H,(H,27,32)(H2,26,33,34)
InChIKeyWEDJFVQHSKHGQH-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (PubChem CID 21366451) has the molecular formula C24H17FN6O3S and a molecular weight of 488.50 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
PubChem CID21366451
Molecular FormulaC24H17FN6O3S
Molecular Weight488.50 g/mol
Exact Mass488.11
IUPAC Name1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1
InChIInChI=1S/C24H17FN6O3S/c25-20-13-16-5-1-2-6-17(16)14-21(20)31-23(28-29-30-31)24(32)27-18-11-9-15(10-12-18)19-7-3-4-8-22(19)35(26,33)34/h1-14H,(H,27,32)(H2,26,33,34)
InChIKeyWEDJFVQHSKHGQH-UHFFFAOYSA-N
XLogP3.52
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (CID 21366451) is 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is WEDJFVQHSKHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O3S/c25-20-13-16-5-1-2-6-17(16)14-21(20)31-23(28-29-30-31)24(32)27-18-11-9-15(10-12-18)19-7-3-4-8-22(19)35(26,33)34/h1-14H,(H,27,32)(H2,26,33,34).
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).