N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide

C22H20N6O5S — CID 71346601

IUPACN-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(-n3cnnn3)c2)c(OC)c1
InChIInChI=1S/C22H20N6O5S/c1-32-16-10-11-20(21(13-16)33-2)24-22(29)18-8-3-4-9-19(18)25-34(30,31)17-7-5-6-15(12-17)28-14-23-26-27-28/h3-14,25H,1-2H3,(H,24,29)
InChIKeyADWHJAXTJBKCGJ-UHFFFAOYSA-N
MW480.51 g/mol
LogP2.73
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide

N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide (PubChem CID 71346601) has the molecular formula C22H20N6O5S and a molecular weight of 480.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
PubChem CID71346601
Molecular FormulaC22H20N6O5S
Molecular Weight480.51 g/mol
Exact Mass480.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(-n3cnnn3)c2)c(OC)c1
InChIInChI=1S/C22H20N6O5S/c1-32-16-10-11-20(21(13-16)33-2)24-22(29)18-8-3-4-9-19(18)25-34(30,31)17-7-5-6-15(12-17)28-14-23-26-27-28/h3-14,25H,1-2H3,(H,24,29)
InChIKeyADWHJAXTJBKCGJ-UHFFFAOYSA-N
XLogP2.73
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-(2,4-dimethoxyphenyl)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzamide
CID 71346608
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
CID 146601229
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
CID 30286393
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide (CID 71346601) is N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(-n3cnnn3)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is ADWHJAXTJBKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5S/c1-32-16-10-11-20(21(13-16)33-2)24-22(29)18-8-3-4-9-19(18)25-34(30,31)17-7-5-6-15(12-17)28-14-23-26-27-28/h3-14,25H,1-2H3,(H,24,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide?
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 480.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 71346601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).