N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide

C15H16N2O4S — CID 57412424

IUPACN-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(20,21)14-6-4-12(5-7-14)15(19)17-9-8-11-2-1-3-13(18)10-11/h1-7,10,18H,8-9H2,(H,17,19)(H2,16,20,21)
InChIKeyWBMSDTCLWXOAMB-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide

N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide (PubChem CID 57412424) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide
PubChem CID57412424
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1
InChIInChI=1S/C15H16N2O4S/c16-22(20,21)14-6-4-12(5-7-14)15(19)17-9-8-11-2-1-3-13(18)10-11/h1-7,10,18H,8-9H2,(H,17,19)(H2,16,20,21)
InChIKeyWBMSDTCLWXOAMB-UHFFFAOYSA-N
XLogP1.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide (CID 57412424) is N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCCc2cccc(O)c2)cc1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is WBMSDTCLWXOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-22(20,21)14-6-4-12(5-7-14)15(19)17-9-8-11-2-1-3-13(18)10-11/h1-7,10,18H,8-9H2,(H,17,19)(H2,16,20,21).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide?
N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 320.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 57412424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).