1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

C24H16BrFN6O3S — CID 21366465

IUPAC1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C24H16BrFN6O3S/c25-17-8-5-15-12-18(9-6-14(15)11-17)32-23(29-30-31-32)24(33)28-21-10-7-16(13-20(21)26)19-3-1-2-4-22(19)36(27,34)35/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeyPMYUEGRBWIJEEE-UHFFFAOYSA-N
MW567.40 g/mol
LogP4.28
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (PubChem CID 21366465) has the molecular formula C24H16BrFN6O3S and a molecular weight of 567.40 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
PubChem CID21366465
Molecular FormulaC24H16BrFN6O3S
Molecular Weight567.40 g/mol
Exact Mass566.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C24H16BrFN6O3S/c25-17-8-5-15-12-18(9-6-14(15)11-17)32-23(29-30-31-32)24(33)28-21-10-7-16(13-20(21)26)19-3-1-2-4-22(19)36(27,34)35/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeyPMYUEGRBWIJEEE-UHFFFAOYSA-N
XLogP4.28
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-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-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (CID 21366465) is 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Br)ccc3c2)c(F)c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is PMYUEGRBWIJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrFN6O3S/c25-17-8-5-15-12-18(9-6-14(15)11-17)32-23(29-30-31-32)24(33)28-21-10-7-16(13-20(21)26)19-3-1-2-4-22(19)36(27,34)35/h1-13H,(H,28,33)(H2,27,34,35).
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 567.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).