N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide

C15H16N2O3S2 — CID 23645370

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1
InChIInChI=1S/C15H16N2O3S2/c16-22(19,20)12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)21/h1-8,21H,9-10H2,(H,17,18)(H2,16,19,20)
InChIKeyUGDACHDXSPSRPW-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide

N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide (PubChem CID 23645370) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide
PubChem CID23645370
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1
InChIInChI=1S/C15H16N2O3S2/c16-22(19,20)12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)21/h1-8,21H,9-10H2,(H,17,18)(H2,16,19,20)
InChIKeyUGDACHDXSPSRPW-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide (CID 23645370) is N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide?
The InChIKey is UGDACHDXSPSRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c16-22(19,20)12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)21/h1-8,21H,9-10H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 23645370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).