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

C24H16ClFN6O3S — CID 20595239

IUPACN-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(Cl)c1
InChIInChI=1S/C24H16ClFN6O3S/c25-18-11-16(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)12-19(21)26/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeyOCEBXRCVYWJDIV-UHFFFAOYSA-N
MW522.95 g/mol
LogP4.17
Rot. Bonds5

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

N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (PubChem CID 20595239) has the molecular formula C24H16ClFN6O3S and a molecular weight of 522.95 g/mol. Its IUPAC name is N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
PubChem CID20595239
Molecular FormulaC24H16ClFN6O3S
Molecular Weight522.95 g/mol
Exact Mass522.07
IUPAC NameN-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(Cl)c1
InChIInChI=1S/C24H16ClFN6O3S/c25-18-11-16(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)12-19(21)26/h1-13H,(H,28,33)(H2,27,34,35)
InChIKeyOCEBXRCVYWJDIV-UHFFFAOYSA-N
XLogP4.17
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.95
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The IUPAC name of N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (CID 20595239) is N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The InChIKey is OCEBXRCVYWJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN6O3S/c25-18-11-16(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)12-19(21)26/h1-13H,(H,28,33)(H2,27,34,35).
What are the key properties of N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide has a molecular weight of 522.95 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is sourced from PubChem (CID 20595239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).