N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C19H19N3O4S3 — CID 2346066

IUPACN'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESNS(=O)(=O)c1ccc(CC/N=C(\NS(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S3/c20-28(23,24)17-10-8-15(9-11-17)12-13-21-19(16-5-2-1-3-6-16)22-29(25,26)18-7-4-14-27-18/h1-11,14H,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyBGMRTNLGJIJILM-UHFFFAOYSA-N
MW449.58 g/mol
LogP2.36
Rot. Bonds7

About N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 2346066) has the molecular formula C19H19N3O4S3 and a molecular weight of 449.58 g/mol. Its IUPAC name is N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID2346066
Molecular FormulaC19H19N3O4S3
Molecular Weight449.58 g/mol
Exact Mass449.05
IUPAC NameN'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESNS(=O)(=O)c1ccc(CC/N=C(\NS(=O)(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S3/c20-28(23,24)17-10-8-15(9-11-17)12-13-21-19(16-5-2-1-3-6-16)22-29(25,26)18-7-4-14-27-18/h1-11,14H,12-13H2,(H,21,22)(H2,20,23,24)
InChIKeyBGMRTNLGJIJILM-UHFFFAOYSA-N
XLogP2.36
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111348765
2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
CID 63178097
thiophen-2-ylsulfonylurea;urea
CID 19065180
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111673734
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[(4-sulfamoylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405282
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
1-(2,6-diethylphenyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111024282
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 2346066) is N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is NS(=O)(=O)c1ccc(CC/N=C(\NS(=O)(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is BGMRTNLGJIJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S3/c20-28(23,24)17-10-8-15(9-11-17)12-13-21-19(16-5-2-1-3-6-16)22-29(25,26)18-7-4-14-27-18/h1-11,14H,12-13H2,(H,21,22)(H2,20,23,24).
What are the key properties of N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 449.58 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-sulfamoylphenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2346066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).