3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide

C22H20N6O4S — CID 2553279

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)cc1
InChIInChI=1S/C22H20N6O4S/c1-27(18-10-12-20(32-2)13-11-18)33(30,31)21-5-3-4-16(14-21)22(29)24-17-6-8-19(9-7-17)28-15-23-25-26-28/h3-15H,1-2H3,(H,24,29)
InChIKeyZOQCIIXJIQEXFH-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.75
Rot. Bonds7

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 2553279) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID2553279
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)cc1
InChIInChI=1S/C22H20N6O4S/c1-27(18-10-12-20(32-2)13-11-18)33(30,31)21-5-3-4-16(14-21)22(29)24-17-6-8-19(9-7-17)28-15-23-25-26-28/h3-15H,1-2H3,(H,24,29)
InChIKeyZOQCIIXJIQEXFH-UHFFFAOYSA-N
XLogP2.75
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55778587
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 2553279) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is ZOQCIIXJIQEXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-27(18-10-12-20(32-2)13-11-18)33(30,31)21-5-3-4-16(14-21)22(29)24-17-6-8-19(9-7-17)28-15-23-25-26-28/h3-15H,1-2H3,(H,24,29).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 464.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 2553279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).