N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

C24H17FN6O3S — CID 20595261

IUPACN-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C24H17FN6O3S/c25-20-14-17(19-7-3-4-8-22(19)35(26,33)34)10-12-21(20)27-24(32)23-28-29-30-31(23)18-11-9-15-5-1-2-6-16(15)13-18/h1-14H,(H,27,32)(H2,26,33,34)
InChIKeyLZAYQOGYBDQVAT-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.52
Rot. Bonds5

About N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (PubChem CID 20595261) has the molecular formula C24H17FN6O3S and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
PubChem CID20595261
Molecular FormulaC24H17FN6O3S
Molecular Weight488.50 g/mol
Exact Mass488.11
IUPAC NameN-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C24H17FN6O3S/c25-20-14-17(19-7-3-4-8-22(19)35(26,33)34)10-12-21(20)27-24(32)23-28-29-30-31(23)18-11-9-15-5-1-2-6-16(15)13-18/h1-14H,(H,27,32)(H2,26,33,34)
InChIKeyLZAYQOGYBDQVAT-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

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Related Compounds

1-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 10004529
1-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 44372519
1-[3-(aminomethyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 44348093
1-(3-amino-4-chlorophenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 44348092
N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
CID 20595239
N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
CID 20595254
N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
CID 20595255
N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(6-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
CID 20595256
1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366446
1-(3-fluoronaphthalen-2-yl)-N-[4-(2-methylsulfonylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366450
1-(3-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366451
1-(3-fluoronaphthalen-2-yl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]tetrazole-5-carboxamide
CID 21366454

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (CID 20595261) is N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The InChIKey is LZAYQOGYBDQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O3S/c25-20-14-17(19-7-3-4-8-22(19)35(26,33)34)10-12-21(20)27-24(32)23-28-29-30-31(23)18-11-9-15-5-1-2-6-16(15)13-18/h1-14H,(H,27,32)(H2,26,33,34).
What are the key properties of N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-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 N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is sourced from PubChem (CID 20595261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).