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

C24H16F2N6O3S — CID 21366446

IUPAC1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C24H16F2N6O3S/c25-18-12-16(17-7-3-4-8-22(17)36(27,34)35)9-10-20(18)28-24(33)23-29-30-31-32(23)21-13-15-6-2-1-5-14(15)11-19(21)26/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeySBEBHCSNQUMKME-UHFFFAOYSA-N
MW506.49 g/mol
LogP3.66
Rot. Bonds5

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

1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (PubChem CID 21366446) has the molecular formula C24H16F2N6O3S and a molecular weight of 506.49 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
PubChem CID21366446
Molecular FormulaC24H16F2N6O3S
Molecular Weight506.49 g/mol
Exact Mass506.10
IUPAC Name1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C24H16F2N6O3S/c25-18-12-16(17-7-3-4-8-22(17)36(27,34)35)9-10-20(18)28-24(33)23-29-30-31-32(23)21-13-15-6-2-1-5-14(15)11-19(21)26/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeySBEBHCSNQUMKME-UHFFFAOYSA-N
XLogP3.66
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 53.66
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
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
N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
CID 20595261
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-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366464
1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366465

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (CID 21366446) is 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is SBEBHCSNQUMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O3S/c25-18-12-16(17-7-3-4-8-22(17)36(27,34)35)9-10-20(18)28-24(33)23-29-30-31-32(23)21-13-15-6-2-1-5-14(15)11-19(21)26/h1-13H,(H,28,33)(H2,27,34,35).
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 3.66, 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-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).