N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide

C18H16N2O3S — CID 10382616

IUPACN-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c19-24(22,23)16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyXNUNHVOECNSQCM-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.42
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide

N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide (PubChem CID 10382616) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide
PubChem CID10382616
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c19-24(22,23)16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)(H2,19,22,23)
InChIKeyXNUNHVOECNSQCM-UHFFFAOYSA-N
XLogP2.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide (CID 10382616) is N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide?
The InChIKey is XNUNHVOECNSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c19-24(22,23)16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)(H2,19,22,23).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide?
N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 10382616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).