1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

C21H18N6O4S — CID 10310498

IUPAC1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30)
InChIKeyLNERPBMKWIZOIQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide

1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (PubChem CID 10310498) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
PubChem CID10310498
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC Name1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
SMILESCOc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30)
InChIKeyLNERPBMKWIZOIQ-UHFFFAOYSA-N
XLogP2.24
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide (CID 10310498) is 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is COc1ccc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is LNERPBMKWIZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-31-17-12-10-16(11-13-17)27-20(24-25-26-27)21(28)23-15-8-6-14(7-9-15)18-4-2-3-5-19(18)32(22,29)30/h2-13H,1H3,(H,23,28)(H2,22,29,30).
What are the key properties of 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide?
1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 10310498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).