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

C16H17N7O3S — CID 118265887

IUPACN-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNCCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H17N7O3S/c17-8-9-19-16(24)11-6-4-10(5-7-11)12-2-1-3-13(27(18,25)26)14(12)15-20-22-23-21-15/h1-7H,8-9,17H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23)
InChIKeyPPAXYDUQBKALPP-UHFFFAOYSA-N
MW387.43 g/mol
LogP-0.13
Rot. Bonds6

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

N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 118265887) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID118265887
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC NameN-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNCCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H17N7O3S/c17-8-9-19-16(24)11-6-4-10(5-7-11)12-2-1-3-13(27(18,25)26)14(12)15-20-22-23-21-15/h1-7H,8-9,17H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23)
InChIKeyPPAXYDUQBKALPP-UHFFFAOYSA-N
XLogP-0.13
TPSA169.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 118265887) is N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is NCCNC(=O)c1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is PPAXYDUQBKALPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c17-8-9-19-16(24)11-6-4-10(5-7-11)12-2-1-3-13(27(18,25)26)14(12)15-20-22-23-21-15/h1-7H,8-9,17H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23).
What are the key properties of N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 387.43 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118265887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).