N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

C18H20N6O3S — CID 118266211

IUPACN,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-3-24(4-2)18(25)13-10-8-12(9-11-13)14-6-5-7-15(28(19,26)27)16(14)17-20-22-23-21-17/h5-11H,3-4H2,1-2H3,(H2,19,26,27)(H,20,21,22,23)
InChIKeyHRXUVVVAUSLRGJ-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.66
Rot. Bonds6

About N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 118266211) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID118266211
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20N6O3S/c1-3-24(4-2)18(25)13-10-8-12(9-11-13)14-6-5-7-15(28(19,26)27)16(14)17-20-22-23-21-17/h5-11H,3-4H2,1-2H3,(H2,19,26,27)(H,20,21,22,23)
InChIKeyHRXUVVVAUSLRGJ-UHFFFAOYSA-N
XLogP1.66
TPSA134.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 118266211) is N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is CCN(CC)C(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is HRXUVVVAUSLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-3-24(4-2)18(25)13-10-8-12(9-11-13)14-6-5-7-15(28(19,26)27)16(14)17-20-22-23-21-17/h5-11H,3-4H2,1-2H3,(H2,19,26,27)(H,20,21,22,23).
What are the key properties of N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118266211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).