N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide

C20H17N7O4S — CID 22612103

IUPACN-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H17N7O4S/c21-32(29,30)17-8-6-14(7-9-17)12-23-19(28)18-5-2-10-22-20(18)31-16-4-1-3-15(11-16)27-13-24-25-26-27/h1-11,13H,12H2,(H,23,28)(H2,21,29,30)
InChIKeyPOSGOMNXPMLQAF-UHFFFAOYSA-N
MW451.47 g/mol
LogP1.43
Rot. Bonds7

About N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide

N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide (PubChem CID 22612103) has the molecular formula C20H17N7O4S and a molecular weight of 451.47 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide
PubChem CID22612103
Molecular FormulaC20H17N7O4S
Molecular Weight451.47 g/mol
Exact Mass451.11
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H17N7O4S/c21-32(29,30)17-8-6-14(7-9-17)12-23-19(28)18-5-2-10-22-20(18)31-16-4-1-3-15(11-16)27-13-24-25-26-27/h1-11,13H,12H2,(H,23,28)(H2,21,29,30)
InChIKeyPOSGOMNXPMLQAF-UHFFFAOYSA-N
XLogP1.43
TPSA154.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
[3-(tetrazol-1-yl)phenyl] 4-(methylcarbamoyl)benzenesulfonate
CID 24525725
N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10180834
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(3-fluoro-5-sulfamoylphenyl)-3-(tetrazol-1-yl)benzamide
CID 47068482
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 44775847

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide (CID 22612103) is N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide?
The InChIKey is POSGOMNXPMLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O4S/c21-32(29,30)17-8-6-14(7-9-17)12-23-19(28)18-5-2-10-22-20(18)31-16-4-1-3-15(11-16)27-13-24-25-26-27/h1-11,13H,12H2,(H,23,28)(H2,21,29,30).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide has a molecular weight of 451.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 22612103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).